3H-imidazo[1,2-a]azepin-9-amine

C8H9N3 — CID 69366373

IUPAC3H-imidazo[1,2-a]azepin-9-amine
SMILESNC1=C2N=CCN2C=CC=C1
InChIInChI=1S/C8H9N3/c9-7-3-1-2-5-11-6-4-10-8(7)11/h1-5H,6,9H2
InChIKeyAXZIFHDBTWHYCM-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.58
Rot. Bonds

About 3H-imidazo[1,2-a]azepin-9-amine

3H-imidazo[1,2-a]azepin-9-amine (PubChem CID 69366373) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3H-imidazo[1,2-a]azepin-9-amine.

Molecular Properties

Compound Name3H-imidazo[1,2-a]azepin-9-amine
PubChem CID69366373
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3H-imidazo[1,2-a]azepin-9-amine
SMILESNC1=C2N=CCN2C=CC=C1
InChIInChI=1S/C8H9N3/c9-7-3-1-2-5-11-6-4-10-8(7)11/h1-5H,6,9H2
InChIKeyAXZIFHDBTWHYCM-UHFFFAOYSA-N
XLogP0.58
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[1,2-a]azepin-9-amine?
The IUPAC name of 3H-imidazo[1,2-a]azepin-9-amine (CID 69366373) is 3H-imidazo[1,2-a]azepin-9-amine.
What is the SMILES notation for 3H-imidazo[1,2-a]azepin-9-amine?
The canonical SMILES for 3H-imidazo[1,2-a]azepin-9-amine is NC1=C2N=CCN2C=CC=C1.
What is the InChIKey of 3H-imidazo[1,2-a]azepin-9-amine?
The InChIKey is AXZIFHDBTWHYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-7-3-1-2-5-11-6-4-10-8(7)11/h1-5H,6,9H2.
What are the key properties of 3H-imidazo[1,2-a]azepin-9-amine?
3H-imidazo[1,2-a]azepin-9-amine has a molecular weight of 147.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[1,2-a]azepin-9-amine is sourced from PubChem (CID 69366373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).