3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine

C11H12N4 — CID 62223980

IUPAC3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
SMILESC=CCn1cnc(-c2cccnc2)c1N
InChIInChI=1S/C11H12N4/c1-2-6-15-8-14-10(11(15)12)9-4-3-5-13-7-9/h2-5,7-8H,1,6,12H2
InChIKeyOUQBJRCCNAYYEP-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.71
Rot. Bonds3

About 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine

3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine (PubChem CID 62223980) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine.

Molecular Properties

Compound Name3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
PubChem CID62223980
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
SMILESC=CCn1cnc(-c2cccnc2)c1N
InChIInChI=1S/C11H12N4/c1-2-6-15-8-14-10(11(15)12)9-4-3-5-13-7-9/h2-5,7-8H,1,6,12H2
InChIKeyOUQBJRCCNAYYEP-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 ≤ 500200.25
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-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
The IUPAC name of 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine (CID 62223980) is 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine.
What is the SMILES notation for 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
The canonical SMILES for 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine is C=CCn1cnc(-c2cccnc2)c1N.
What is the InChIKey of 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
The InChIKey is OUQBJRCCNAYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-6-15-8-14-10(11(15)12)9-4-3-5-13-7-9/h2-5,7-8H,1,6,12H2.
What are the key properties of 3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine?
3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine has a molecular weight of 200.25 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-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine is sourced from PubChem (CID 62223980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).