2,10-dihydrotriazolo[4,5-c][1]benzazepine

C10H8N4 — CID 91028182

IUPAC2,10-dihydrotriazolo[4,5-c][1]benzazepine
SMILESC1=Nc2ccccc2Cc2n[nH]nc21
InChIInChI=1S/C10H8N4/c1-2-4-8-7(3-1)5-9-10(6-11-8)13-14-12-9/h1-4,6H,5H2,(H,12,13,14)
InChIKeyJVBOLGQJWRZEEM-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.46
Rot. Bonds

About 2,10-dihydrotriazolo[4,5-c][1]benzazepine

2,10-dihydrotriazolo[4,5-c][1]benzazepine (PubChem CID 91028182) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,10-dihydrotriazolo[4,5-c][1]benzazepine.

Molecular Properties

Compound Name2,10-dihydrotriazolo[4,5-c][1]benzazepine
PubChem CID91028182
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2,10-dihydrotriazolo[4,5-c][1]benzazepine
SMILESC1=Nc2ccccc2Cc2n[nH]nc21
InChIInChI=1S/C10H8N4/c1-2-4-8-7(3-1)5-9-10(6-11-8)13-14-12-9/h1-4,6H,5H2,(H,12,13,14)
InChIKeyJVBOLGQJWRZEEM-UHFFFAOYSA-N
XLogP1.46
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,10-dihydrotriazolo[4,5-c][1]benzazepine?
The IUPAC name of 2,10-dihydrotriazolo[4,5-c][1]benzazepine (CID 91028182) is 2,10-dihydrotriazolo[4,5-c][1]benzazepine.
What is the SMILES notation for 2,10-dihydrotriazolo[4,5-c][1]benzazepine?
The canonical SMILES for 2,10-dihydrotriazolo[4,5-c][1]benzazepine is C1=Nc2ccccc2Cc2n[nH]nc21.
What is the InChIKey of 2,10-dihydrotriazolo[4,5-c][1]benzazepine?
The InChIKey is JVBOLGQJWRZEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-8-7(3-1)5-9-10(6-11-8)13-14-12-9/h1-4,6H,5H2,(H,12,13,14).
What are the key properties of 2,10-dihydrotriazolo[4,5-c][1]benzazepine?
2,10-dihydrotriazolo[4,5-c][1]benzazepine has a molecular weight of 184.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dihydrotriazolo[4,5-c][1]benzazepine is sourced from PubChem (CID 91028182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).