3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine

C13H14N4 — CID 114722467

IUPAC3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
SMILESCC#CCCn1cncc1-c1cnccc1N
InChIInChI=1S/C13H14N4/c1-2-3-4-7-17-10-16-9-13(17)11-8-15-6-5-12(11)14/h5-6,8-10H,4,7H2,1H3,(H2,14,15)
InChIKeyQVYAOMNDRWRMPE-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.94
Rot. Bonds3

About 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine

3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine (PubChem CID 114722467) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
PubChem CID114722467
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
SMILESCC#CCCn1cncc1-c1cnccc1N
InChIInChI=1S/C13H14N4/c1-2-3-4-7-17-10-16-9-13(17)11-8-15-6-5-12(11)14/h5-6,8-10H,4,7H2,1H3,(H2,14,15)
InChIKeyQVYAOMNDRWRMPE-UHFFFAOYSA-N
XLogP1.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine?
The IUPAC name of 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine (CID 114722467) is 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine.
What is the SMILES notation for 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine?
The canonical SMILES for 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine is CC#CCCn1cncc1-c1cnccc1N.
What is the InChIKey of 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine?
The InChIKey is QVYAOMNDRWRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-3-4-7-17-10-16-9-13(17)11-8-15-6-5-12(11)14/h5-6,8-10H,4,7H2,1H3,(H2,14,15).
What are the key properties of 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine?
3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine has a molecular weight of 226.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine is sourced from PubChem (CID 114722467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).