1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid

C14H21N3O2 — CID 61345539

IUPAC1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc(C3CCCC3)n[nH]2)CCCC1
InChIInChI=1S/C14H21N3O2/c18-13(19)14(7-3-4-8-14)9-11-15-12(17-16-11)10-5-1-2-6-10/h10H,1-9H2,(H,18,19)(H,15,16,17)
InChIKeyJDRQRRYZOMPVRQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.65
Rot. Bonds4

About 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid

1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 61345539) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID61345539
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc(C3CCCC3)n[nH]2)CCCC1
InChIInChI=1S/C14H21N3O2/c18-13(19)14(7-3-4-8-14)9-11-15-12(17-16-11)10-5-1-2-6-10/h10H,1-9H2,(H,18,19)(H,15,16,17)
InChIKeyJDRQRRYZOMPVRQ-UHFFFAOYSA-N
XLogP2.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid (CID 61345539) is 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nc(C3CCCC3)n[nH]2)CCCC1.
What is the InChIKey of 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is JDRQRRYZOMPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(19)14(7-3-4-8-14)9-11-15-12(17-16-11)10-5-1-2-6-10/h10H,1-9H2,(H,18,19)(H,15,16,17).
What are the key properties of 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61345539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).