2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid

C14H21N3O2 — CID 61375895

IUPAC2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCc1nnc(CC2(CC(=O)O)CCCC2)n1C1CC1
InChIInChI=1S/C14H21N3O2/c1-10-15-16-12(17(10)11-4-5-11)8-14(9-13(18)19)6-2-3-7-14/h11H,2-9H2,1H3,(H,18,19)
InChIKeyHRNGGCDRBBRXBU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds5

About 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid

2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61375895) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
PubChem CID61375895
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCc1nnc(CC2(CC(=O)O)CCCC2)n1C1CC1
InChIInChI=1S/C14H21N3O2/c1-10-15-16-12(17(10)11-4-5-11)8-14(9-13(18)19)6-2-3-7-14/h11H,2-9H2,1H3,(H,18,19)
InChIKeyHRNGGCDRBBRXBU-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108042
2-[1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108085
2-[1-[(2,5-Dimethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108184
2-[1-[(4-Propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108277
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 55108623
2-[1-[(4-Cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108676
2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclohexyl]acetic acid
CID 55125937
3,3-Dimethyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butanoic acid
CID 55156534
4-(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
CID 61361990
1-[(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 61362188
1-[(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 61362393
5-(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid
CID 61362394

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (CID 61375895) is 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is Cc1nnc(CC2(CC(=O)O)CCCC2)n1C1CC1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is HRNGGCDRBBRXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-15-16-12(17(10)11-4-5-11)8-14(9-13(18)19)6-2-3-7-14/h11H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61375895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).