4-methylpyrido[3,4-b]azepin-4-amine

C10H11N3 — CID 142322490

IUPAC4-methylpyrido[3,4-b]azepin-4-amine
SMILESCC1(N)C=CN=c2cnccc2=C1
InChIInChI=1S/C10H11N3/c1-10(11)3-5-13-9-7-12-4-2-8(9)6-10/h2-7H,11H2,1H3
InChIKeyQHZFOPRDRFKXRR-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.27
Rot. Bonds

About 4-methylpyrido[3,4-b]azepin-4-amine

4-methylpyrido[3,4-b]azepin-4-amine (PubChem CID 142322490) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-methylpyrido[3,4-b]azepin-4-amine.

Molecular Properties

Compound Name4-methylpyrido[3,4-b]azepin-4-amine
PubChem CID142322490
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-methylpyrido[3,4-b]azepin-4-amine
SMILESCC1(N)C=CN=c2cnccc2=C1
InChIInChI=1S/C10H11N3/c1-10(11)3-5-13-9-7-12-4-2-8(9)6-10/h2-7H,11H2,1H3
InChIKeyQHZFOPRDRFKXRR-UHFFFAOYSA-N
XLogP-0.27
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrido[3,4-b]azepin-4-amine?
The IUPAC name of 4-methylpyrido[3,4-b]azepin-4-amine (CID 142322490) is 4-methylpyrido[3,4-b]azepin-4-amine.
What is the SMILES notation for 4-methylpyrido[3,4-b]azepin-4-amine?
The canonical SMILES for 4-methylpyrido[3,4-b]azepin-4-amine is CC1(N)C=CN=c2cnccc2=C1.
What is the InChIKey of 4-methylpyrido[3,4-b]azepin-4-amine?
The InChIKey is QHZFOPRDRFKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-10(11)3-5-13-9-7-12-4-2-8(9)6-10/h2-7H,11H2,1H3.
What are the key properties of 4-methylpyrido[3,4-b]azepin-4-amine?
4-methylpyrido[3,4-b]azepin-4-amine has a molecular weight of 173.22 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrido[3,4-b]azepin-4-amine is sourced from PubChem (CID 142322490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).