2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

C12H14N4O2 — CID 103201006

IUPAC2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc2nccc(C3CCCC3)n2n1
InChIInChI=1S/C12H14N4O2/c17-11(18)7-10-14-12-13-6-5-9(16(12)15-10)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyHCQNVQYGUXKMTJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.41
Rot. Bonds3

About 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid

2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid (PubChem CID 103201006) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
PubChem CID103201006
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc2nccc(C3CCCC3)n2n1
InChIInChI=1S/C12H14N4O2/c17-11(18)7-10-14-12-13-6-5-9(16(12)15-10)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18)
InChIKeyHCQNVQYGUXKMTJ-UHFFFAOYSA-N
XLogP1.41
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid (CID 103201006) is 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid is O=C(O)Cc1nc2nccc(C3CCCC3)n2n1.
What is the InChIKey of 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
The InChIKey is HCQNVQYGUXKMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11(18)7-10-14-12-13-6-5-9(16(12)15-10)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,17,18).
What are the key properties of 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid?
2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 103201006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).