3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine

C14H16N4 — CID 114158854

IUPAC3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
SMILESC#CCCCCn1cncc1-c1cccnc1N
InChIInChI=1S/C14H16N4/c1-2-3-4-5-9-18-11-16-10-13(18)12-7-6-8-17-14(12)15/h1,6-8,10-11H,3-5,9H2,(H2,15,17)
InChIKeyOSNWLQJRVZMVRV-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.33
Rot. Bonds5

About 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine

3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine (PubChem CID 114158854) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
PubChem CID114158854
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
SMILESC#CCCCCn1cncc1-c1cccnc1N
InChIInChI=1S/C14H16N4/c1-2-3-4-5-9-18-11-16-10-13(18)12-7-6-8-17-14(12)15/h1,6-8,10-11H,3-5,9H2,(H2,15,17)
InChIKeyOSNWLQJRVZMVRV-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721864
3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106410397
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722187
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114720176
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458

Frequently Asked Questions

What is the IUPAC name of 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine (CID 114158854) is 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine is C#CCCCCn1cncc1-c1cccnc1N.
What is the InChIKey of 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine?
The InChIKey is OSNWLQJRVZMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-3-4-5-9-18-11-16-10-13(18)12-7-6-8-17-14(12)15/h1,6-8,10-11H,3-5,9H2,(H2,15,17).
What are the key properties of 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine?
3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114158854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).