1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid

C15H15N5O2 — CID 139487330

IUPAC1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
SMILESCC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1
InChIInChI=1S/C15H15N5O2/c1-9(20-8-13(15(21)22)17-18-20)12-7-19-6-11(10-2-3-10)4-5-14(19)16-12/h4-10H,2-3H2,1H3,(H,21,22)
InChIKeyIGXKMSGOZLGFON-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.11
Rot. Bonds4

About 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid

1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 139487330) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
PubChem CID139487330
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
SMILESCC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1
InChIInChI=1S/C15H15N5O2/c1-9(20-8-13(15(21)22)17-18-20)12-7-19-6-11(10-2-3-10)4-5-14(19)16-12/h4-10H,2-3H2,1H3,(H,21,22)
InChIKeyIGXKMSGOZLGFON-UHFFFAOYSA-N
XLogP2.11
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid (CID 139487330) is 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid is CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.
What is the InChIKey of 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is IGXKMSGOZLGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9(20-8-13(15(21)22)17-18-20)12-7-19-6-11(10-2-3-10)4-5-14(19)16-12/h4-10H,2-3H2,1H3,(H,21,22).
What are the key properties of 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 297.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).