10H-triazino[1,2-a]diazepine

C8H9N3 — CID 68538108

IUPAC10H-triazino[1,2-a]diazepine
SMILESC1=CCN2N=CC=CN2C=C1
InChIInChI=1S/C8H9N3/c1-2-6-10-7-4-5-9-11(10)8-3-1/h1-7H,8H2
InChIKeyVVJIHGUFIARDMV-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.10
Rot. Bonds

About 10H-triazino[1,2-a]diazepine

10H-triazino[1,2-a]diazepine (PubChem CID 68538108) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 10H-triazino[1,2-a]diazepine.

Molecular Properties

Compound Name10H-triazino[1,2-a]diazepine
PubChem CID68538108
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name10H-triazino[1,2-a]diazepine
SMILESC1=CCN2N=CC=CN2C=C1
InChIInChI=1S/C8H9N3/c1-2-6-10-7-4-5-9-11(10)8-3-1/h1-7H,8H2
InChIKeyVVJIHGUFIARDMV-UHFFFAOYSA-N
XLogP1.10
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10H-triazino[1,2-a]diazepine?
The IUPAC name of 10H-triazino[1,2-a]diazepine (CID 68538108) is 10H-triazino[1,2-a]diazepine.
What is the SMILES notation for 10H-triazino[1,2-a]diazepine?
The canonical SMILES for 10H-triazino[1,2-a]diazepine is C1=CCN2N=CC=CN2C=C1.
What is the InChIKey of 10H-triazino[1,2-a]diazepine?
The InChIKey is VVJIHGUFIARDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-6-10-7-4-5-9-11(10)8-3-1/h1-7H,8H2.
What are the key properties of 10H-triazino[1,2-a]diazepine?
10H-triazino[1,2-a]diazepine has a molecular weight of 147.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-triazino[1,2-a]diazepine is sourced from PubChem (CID 68538108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).