Tirapazamine

C₇H₆N₄O₂CAS 27314-97-2178.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₄O₂
Molar mass: 178.15 g/mol
Exact mass: 178.0491 Da
Melting point: 222–224 °C
logP: -0.92Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 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

27314-97-2

SMILES

C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]

InChIKey

ORYDPOVDJJZGHQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)

Weigh it out

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

Names and synonyms

9 names

1,2,4-Benzotriazin-3-amine, 1,4-dioxide
1,2,4-Benzotriazine, 3-amino-, 1,4-dioxide
3-Amino-1,2,4-benzotriazine 1,4-dioxide
SR 4233
Win 59075
Tirazone
SR 259075
SML 0552
SR259075

Work with Tirapazamine

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

Same formula

3-Amino-5-nitroindazole41339-17-7 2-Amino-5-nitrobenzimidazole6232-92-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook