3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine

C13H14N4 — CID 114722187

IUPAC3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
SMILESC#CCC(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C13H14N4/c1-3-5-10(2)17-9-15-8-12(17)11-6-4-7-16-13(11)14/h1,4,6-10H,5H2,2H3,(H2,14,16)
InChIKeyDZJZMWJQGCTGAK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.11
Rot. Bonds3

About 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine

3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine (PubChem CID 114722187) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
PubChem CID114722187
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
SMILESC#CCC(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C13H14N4/c1-3-5-10(2)17-9-15-8-12(17)11-6-4-7-16-13(11)14/h1,4,6-10H,5H2,2H3,(H2,14,16)
InChIKeyDZJZMWJQGCTGAK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-4-yn-2-ylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine (CID 114722187) is 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine is C#CCC(C)n1cncc1-c1cccnc1N.
What is the InChIKey of 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine?
The InChIKey is DZJZMWJQGCTGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-3-5-10(2)17-9-15-8-12(17)11-6-4-7-16-13(11)14/h1,4,6-10H,5H2,2H3,(H2,14,16).
What are the key properties of 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine?
3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114722187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).