5-N-methyl-4H-azepine-5,6,7-triamine

C7H12N4 — CID 137396607

IUPAC5-N-methyl-4H-azepine-5,6,7-triamine
SMILESCNC1=C(N)C(N)=NC=CC1
InChIInChI=1S/C7H12N4/c1-10-5-3-2-4-11-7(9)6(5)8/h2,4,10H,3,8H2,1H3,(H2,9,11)
InChIKeyFMLFDPKSYKJNEM-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.35
Rot. Bonds1

About 5-N-methyl-4H-azepine-5,6,7-triamine

5-N-methyl-4H-azepine-5,6,7-triamine (PubChem CID 137396607) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-N-methyl-4H-azepine-5,6,7-triamine.

Molecular Properties

Compound Name5-N-methyl-4H-azepine-5,6,7-triamine
PubChem CID137396607
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-N-methyl-4H-azepine-5,6,7-triamine
SMILESCNC1=C(N)C(N)=NC=CC1
InChIInChI=1S/C7H12N4/c1-10-5-3-2-4-11-7(9)6(5)8/h2,4,10H,3,8H2,1H3,(H2,9,11)
InChIKeyFMLFDPKSYKJNEM-UHFFFAOYSA-N
XLogP-0.35
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-N-methyl-4H-azepine-5,6,7-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4H-azepine-5,6,7-triamine?
The IUPAC name of 5-N-methyl-4H-azepine-5,6,7-triamine (CID 137396607) is 5-N-methyl-4H-azepine-5,6,7-triamine.
What is the SMILES notation for 5-N-methyl-4H-azepine-5,6,7-triamine?
The canonical SMILES for 5-N-methyl-4H-azepine-5,6,7-triamine is CNC1=C(N)C(N)=NC=CC1.
What is the InChIKey of 5-N-methyl-4H-azepine-5,6,7-triamine?
The InChIKey is FMLFDPKSYKJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-10-5-3-2-4-11-7(9)6(5)8/h2,4,10H,3,8H2,1H3,(H2,9,11).
What are the key properties of 5-N-methyl-4H-azepine-5,6,7-triamine?
5-N-methyl-4H-azepine-5,6,7-triamine has a molecular weight of 152.20 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4H-azepine-5,6,7-triamine is sourced from PubChem (CID 137396607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).