3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine

C12H14N4 — CID 114722123

IUPAC3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
SMILESC=CC(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C12H14N4/c1-3-9(2)16-8-14-7-11(16)10-5-4-6-15-12(10)13/h3-9H,1H2,2H3,(H2,13,15)
InChIKeyHLMJPHRMUAAKDS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.27
Rot. Bonds3

About 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine

3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine (PubChem CID 114722123) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
PubChem CID114722123
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
SMILESC=CC(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C12H14N4/c1-3-9(2)16-8-14-7-11(16)10-5-4-6-15-12(10)13/h3-9H,1H2,2H3,(H2,13,15)
InChIKeyHLMJPHRMUAAKDS-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
CID 114719339
3-[3-(1-cyclopentylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720645
3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722187
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720041
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719040
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721812
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720067
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine (CID 114722123) is 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine is C=CC(C)n1cncc1-c1cccnc1N.
What is the InChIKey of 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine?
The InChIKey is HLMJPHRMUAAKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-3-9(2)16-8-14-7-11(16)10-5-4-6-15-12(10)13/h3-9H,1H2,2H3,(H2,13,15).
What are the key properties of 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine?
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114722123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).