4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine

C9H11N5 — CID 64548272

IUPAC4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCc1ncc[nH]1
InChIInChI=1S/C9H11N5/c10-7-5-11-2-1-8(7)14-6-9-12-3-4-13-9/h1-5H,6,10H2,(H,11,14)(H,12,13)
InChIKeyLZGVIRCYDOSBHA-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.00
Rot. Bonds3

About 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine

4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine (PubChem CID 64548272) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
PubChem CID64548272
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
SMILESNc1cnccc1NCc1ncc[nH]1
InChIInChI=1S/C9H11N5/c10-7-5-11-2-1-8(7)14-6-9-12-3-4-13-9/h1-5H,6,10H2,(H,11,14)(H,12,13)
InChIKeyLZGVIRCYDOSBHA-UHFFFAOYSA-N
XLogP1.00
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine (CID 64548272) is 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine is Nc1cnccc1NCc1ncc[nH]1.
What is the InChIKey of 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine?
The InChIKey is LZGVIRCYDOSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-7-5-11-2-1-8(7)14-6-9-12-3-4-13-9/h1-5H,6,10H2,(H,11,14)(H,12,13).
What are the key properties of 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine?
4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine has a molecular weight of 189.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 64548272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).