2-Methyl-3-amino-4-quinazolone

C₉H₉N₃OCAS 1898-06-2175.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N₃O
Molar mass: 175.19 g/mol
Exact mass: 175.0746 Da
logP: 0.42Crippen estimate
Polar surface area: 60.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1898-06-2

SMILES

CC1=NC2=CC=CC=C2C(=O)N1N

InChIKey

IQOUPYQSZBDNAW-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Amino-2-methylquinazolin-4(3H)-one

Work with 2-Methyl-3-amino-4-quinazolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Metamitron41394-05-249 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-240 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-540 % similar 9-Methylacridine611-64-340 % similar 2-Methyl-4H-3,1-benzoxazin-4-one525-76-839 % similar 4-Methyl-2-quinolinamine27063-27-037 % similar DEPBT165534-43-035 % similar 2,4-Dimethylquinoline1198-37-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-4 5-Benzyl-1,3,4-oxadiazol-2-ylamine31803-00-6 3-Amino-1-phenyl-2-pyrazolin-5-one4149-06-8

Elsewhere

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