3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine

C11H12N4 — CID 114717599

IUPAC3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
SMILESC=CCn1cncc1-c1cnccc1N
InChIInChI=1S/C11H12N4/c1-2-5-15-8-14-7-11(15)9-6-13-4-3-10(9)12/h2-4,6-8H,1,5H2,(H2,12,13)
InChIKeyAQVIKBGIFUFUOR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.71
Rot. Bonds3

About 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine

3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine (PubChem CID 114717599) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
PubChem CID114717599
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
SMILESC=CCn1cncc1-c1cnccc1N
InChIInChI=1S/C11H12N4/c1-2-5-15-8-14-7-11(15)9-6-13-4-3-10(9)12/h2-4,6-8H,1,5H2,(H2,12,13)
InChIKeyAQVIKBGIFUFUOR-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine?
The IUPAC name of 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine (CID 114717599) is 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine.
What is the SMILES notation for 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine?
The canonical SMILES for 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine is C=CCn1cncc1-c1cnccc1N.
What is the InChIKey of 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine?
The InChIKey is AQVIKBGIFUFUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-5-15-8-14-7-11(15)9-6-13-4-3-10(9)12/h2-4,6-8H,1,5H2,(H2,12,13).
What are the key properties of 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine?
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine has a molecular weight of 200.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine is sourced from PubChem (CID 114717599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).