Triazabicyclodecene

C₇H₁₃N₃CAS 5807-14-7139.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃N₃
Molar mass: 139.20 g/mol
Exact mass: 139.1109 Da
Melting point: 109–111 °C
logP: 0.04Crippen estimate
Polar surface area: 27.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

5807-14-7

SMILES

C1CN=C2NCCCN2C1

InChIKey

FVKFHMNJTHKMRX-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)

Weigh it out

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

Names and synonyms

10 names

2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-
2H-Pyrimido[1,2-a]pyrimidine, 3,4,6,7,8,9-hexahydro-
1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine
1,5,9-Triazabicyclo[4.4.0]dec-9-ene
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
2,3,4,6,7,8-Hexahydro-1H-pyrimido[1,2-a]pyrimidine
1,5,7-Triazabicyclo[4.4.0]deca-5-ene
TBD
1H,2H,3H,4H,6H,7H,8H-[1,3]Diazino[1,2-a]pyrimidine
3,4,6,7,8,9-Hexahydro-2H-pyrimido[1,2-a]pyrimidine

Work with Triazabicyclodecene

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

1,3-Bis[3-(dimethylamino)propyl]urea52338-87-144 % similar 1,5-Diazabicyclo(4.3.0)non-5-ene3001-72-741 % similar 1,8-Diazabicyclo(5.4.0)undec-7-ene6674-22-239 % similar Tetrahydro-2(1H)-pyrimidinone1852-17-138 % similar Tetrahydropyrimidine-2-thione2055-46-137 % similar 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene84030-20-636 % similar Bis(2-chloroethyl) ether-1,3-bis[3-(dimethylamino)propyl]urea copolymer68555-36-234 % similar Dibutylurea1792-17-231 % similar

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

Same formula

2-Methyl-1H-imidazole-1-propanamine2258-21-1 3-Amino-5-tert-butylpyrazole82560-12-1

Elsewhere

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