4-imidazol-1-ylpyridin-3-amine

C8H8N4 — CID 18953548

IUPAC4-imidazol-1-ylpyridin-3-amine
SMILESNc1cnccc1-n1ccnc1
InChIInChI=1S/C8H8N4/c9-7-5-10-2-1-8(7)12-4-3-11-6-12/h1-6H,9H2
InChIKeyKLZGMGOCHJUGBZ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.85
Rot. Bonds1

About 4-imidazol-1-ylpyridin-3-amine

4-imidazol-1-ylpyridin-3-amine (PubChem CID 18953548) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-imidazol-1-ylpyridin-3-amine.

Molecular Properties

Compound Name4-imidazol-1-ylpyridin-3-amine
PubChem CID18953548
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-imidazol-1-ylpyridin-3-amine
SMILESNc1cnccc1-n1ccnc1
InChIInChI=1S/C8H8N4/c9-7-5-10-2-1-8(7)12-4-3-11-6-12/h1-6H,9H2
InChIKeyKLZGMGOCHJUGBZ-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylpyridin-3-amine?
The IUPAC name of 4-imidazol-1-ylpyridin-3-amine (CID 18953548) is 4-imidazol-1-ylpyridin-3-amine.
What is the SMILES notation for 4-imidazol-1-ylpyridin-3-amine?
The canonical SMILES for 4-imidazol-1-ylpyridin-3-amine is Nc1cnccc1-n1ccnc1.
What is the InChIKey of 4-imidazol-1-ylpyridin-3-amine?
The InChIKey is KLZGMGOCHJUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-7-5-10-2-1-8(7)12-4-3-11-6-12/h1-6H,9H2.
What are the key properties of 4-imidazol-1-ylpyridin-3-amine?
4-imidazol-1-ylpyridin-3-amine has a molecular weight of 160.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylpyridin-3-amine is sourced from PubChem (CID 18953548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).