6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine

C9H11N5 — CID 166108927

IUPAC6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine
SMILESCNc1nc(-n2ccnc2)ccc1N
InChIInChI=1S/C9H11N5/c1-11-9-7(10)2-3-8(13-9)14-5-4-12-6-14/h2-6H,10H2,1H3,(H,11,13)
InChIKeyHQEFQTYFPVRYNL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.89
Rot. Bonds2

About 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine

6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine (PubChem CID 166108927) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine
PubChem CID166108927
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine
SMILESCNc1nc(-n2ccnc2)ccc1N
InChIInChI=1S/C9H11N5/c1-11-9-7(10)2-3-8(13-9)14-5-4-12-6-14/h2-6H,10H2,1H3,(H,11,13)
InChIKeyHQEFQTYFPVRYNL-UHFFFAOYSA-N
XLogP0.89
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-imidazol-1-yl-2-N-methylpyridine-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 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine (CID 166108927) is 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine is CNc1nc(-n2ccnc2)ccc1N.
What is the InChIKey of 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine?
The InChIKey is HQEFQTYFPVRYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-11-9-7(10)2-3-8(13-9)14-5-4-12-6-14/h2-6H,10H2,1H3,(H,11,13).
What are the key properties of 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine?
6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine has a molecular weight of 189.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 166108927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).