3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine

C12H14N6 — CID 142447617

IUPAC3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine
SMILES[H]/N=C/C(=CN)c1cc2cc(NC)ncc2c(N)n1
InChIInChI=1S/C12H14N6/c1-16-11-3-7-2-10(8(4-13)5-14)18-12(15)9(7)6-17-11/h2-6,13H,14H2,1H3,(H2,15,18)(H,16,17)/b8-5?,13-4+
InChIKeyNJQDKNJJQUSJBN-OUBCGUIMSA-N
MW242.29 g/mol
LogP1.20
Rot. Bonds3

About 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine

3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine (PubChem CID 142447617) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine
PubChem CID142447617
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine
SMILES[H]/N=C/C(=CN)c1cc2cc(NC)ncc2c(N)n1
InChIInChI=1S/C12H14N6/c1-16-11-3-7-2-10(8(4-13)5-14)18-12(15)9(7)6-17-11/h2-6,13H,14H2,1H3,(H2,15,18)(H,16,17)/b8-5?,13-4+
InChIKeyNJQDKNJJQUSJBN-OUBCGUIMSA-N
XLogP1.20
TPSA113.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-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 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine (CID 142447617) is 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine is [H]/N=C/C(=CN)c1cc2cc(NC)ncc2c(N)n1.
What is the InChIKey of 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine?
The InChIKey is NJQDKNJJQUSJBN-OUBCGUIMSA-N. The full InChI is InChI=1S/C12H14N6/c1-16-11-3-7-2-10(8(4-13)5-14)18-12(15)9(7)6-17-11/h2-6,13H,14H2,1H3,(H2,15,18)(H,16,17)/b8-5?,13-4+.
What are the key properties of 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine?
3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine has a molecular weight of 242.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-iminoprop-1-en-2-yl)-6-N-methyl-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 142447617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).