5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine

C7H9N3 — CID 121257833

IUPAC5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine
SMILESCC1=C=CN=C(N)C(N)=C1
InChIInChI=1S/C7H9N3/c1-5-2-3-10-7(9)6(8)4-5/h3-4H,8H2,1H3,(H2,9,10)
InChIKeyUQEKJRGVONEHIR-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.26
Rot. Bonds

About 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine

5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine (PubChem CID 121257833) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine.

Molecular Properties

Compound Name5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine
PubChem CID121257833
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine
SMILESCC1=C=CN=C(N)C(N)=C1
InChIInChI=1S/C7H9N3/c1-5-2-3-10-7(9)6(8)4-5/h3-4H,8H2,1H3,(H2,9,10)
InChIKeyUQEKJRGVONEHIR-UHFFFAOYSA-N
XLogP0.26
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine 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-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine?
The IUPAC name of 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine (CID 121257833) is 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine.
What is the SMILES notation for 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine?
The canonical SMILES for 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine is CC1=C=CN=C(N)C(N)=C1.
What is the InChIKey of 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine?
The InChIKey is UQEKJRGVONEHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5-2-3-10-7(9)6(8)4-5/h3-4H,8H2,1H3,(H2,9,10).
What are the key properties of 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine?
5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine has a molecular weight of 135.17 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-azacyclohepta-1,3,5,6-tetraene-2,3-diamine is sourced from PubChem (CID 121257833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).