10aH-tetrazolo[1,5-a][1]benzazepine

C10H8N4 — CID 87090547

IUPAC10aH-tetrazolo[1,5-a][1]benzazepine
SMILESC1=CC2=CC=Cc3nnnn3C2C=C1
InChIInChI=1S/C10H8N4/c1-2-6-9-8(4-1)5-3-7-10-11-12-13-14(9)10/h1-7,9H
InChIKeyITQXDCDNOINMOB-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.29
Rot. Bonds

About 10aH-tetrazolo[1,5-a][1]benzazepine

10aH-tetrazolo[1,5-a][1]benzazepine (PubChem CID 87090547) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 10aH-tetrazolo[1,5-a][1]benzazepine.

Molecular Properties

Compound Name10aH-tetrazolo[1,5-a][1]benzazepine
PubChem CID87090547
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name10aH-tetrazolo[1,5-a][1]benzazepine
SMILESC1=CC2=CC=Cc3nnnn3C2C=C1
InChIInChI=1S/C10H8N4/c1-2-6-9-8(4-1)5-3-7-10-11-12-13-14(9)10/h1-7,9H
InChIKeyITQXDCDNOINMOB-UHFFFAOYSA-N
XLogP1.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10aH-tetrazolo[1,5-a][1]benzazepine?
The IUPAC name of 10aH-tetrazolo[1,5-a][1]benzazepine (CID 87090547) is 10aH-tetrazolo[1,5-a][1]benzazepine.
What is the SMILES notation for 10aH-tetrazolo[1,5-a][1]benzazepine?
The canonical SMILES for 10aH-tetrazolo[1,5-a][1]benzazepine is C1=CC2=CC=Cc3nnnn3C2C=C1.
What is the InChIKey of 10aH-tetrazolo[1,5-a][1]benzazepine?
The InChIKey is ITQXDCDNOINMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-6-9-8(4-1)5-3-7-10-11-12-13-14(9)10/h1-7,9H.
What are the key properties of 10aH-tetrazolo[1,5-a][1]benzazepine?
10aH-tetrazolo[1,5-a][1]benzazepine has a molecular weight of 184.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-tetrazolo[1,5-a][1]benzazepine is sourced from PubChem (CID 87090547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).