3H-pyrido[4,3-b]azepin-2-amine

C9H9N3 — CID 131994155

IUPAC3H-pyrido[4,3-b]azepin-2-amine
SMILESNC1=Nc2ccncc2C=CC1
InChIInChI=1S/C9H9N3/c10-9-3-1-2-7-6-11-5-4-8(7)12-9/h1-2,4-6H,3H2,(H2,10,12)
InChIKeyUDOKDLCRAPHRRJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.49
Rot. Bonds

About 3H-pyrido[4,3-b]azepin-2-amine

3H-pyrido[4,3-b]azepin-2-amine (PubChem CID 131994155) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3H-pyrido[4,3-b]azepin-2-amine.

Molecular Properties

Compound Name3H-pyrido[4,3-b]azepin-2-amine
PubChem CID131994155
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3H-pyrido[4,3-b]azepin-2-amine
SMILESNC1=Nc2ccncc2C=CC1
InChIInChI=1S/C9H9N3/c10-9-3-1-2-7-6-11-5-4-8(7)12-9/h1-2,4-6H,3H2,(H2,10,12)
InChIKeyUDOKDLCRAPHRRJ-UHFFFAOYSA-N
XLogP1.49
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrido[4,3-b]azepin-2-amine?
The IUPAC name of 3H-pyrido[4,3-b]azepin-2-amine (CID 131994155) is 3H-pyrido[4,3-b]azepin-2-amine.
What is the SMILES notation for 3H-pyrido[4,3-b]azepin-2-amine?
The canonical SMILES for 3H-pyrido[4,3-b]azepin-2-amine is NC1=Nc2ccncc2C=CC1.
What is the InChIKey of 3H-pyrido[4,3-b]azepin-2-amine?
The InChIKey is UDOKDLCRAPHRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-9-3-1-2-7-6-11-5-4-8(7)12-9/h1-2,4-6H,3H2,(H2,10,12).
What are the key properties of 3H-pyrido[4,3-b]azepin-2-amine?
3H-pyrido[4,3-b]azepin-2-amine has a molecular weight of 159.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrido[4,3-b]azepin-2-amine is sourced from PubChem (CID 131994155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).