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

C16H25N3O2 — CID 61362593

IUPAC2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCc1nnc(CC2(CC(=O)O)CCCC2)n1C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-12-17-18-14(19(12)13-6-2-3-7-13)10-16(11-15(20)21)8-4-5-9-16/h13H,2-11H2,1H3,(H,20,21)
InChIKeyZQTRDZNHAAFXPK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.28
Rot. Bonds5

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

2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61362593) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
PubChem CID61362593
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCc1nnc(CC2(CC(=O)O)CCCC2)n1C1CCCC1
InChIInChI=1S/C16H25N3O2/c1-12-17-18-14(19(12)13-6-2-3-7-13)10-16(11-15(20)21)8-4-5-9-16/h13H,2-11H2,1H3,(H,20,21)
InChIKeyZQTRDZNHAAFXPK-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (CID 61362593) is 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is Cc1nnc(CC2(CC(=O)O)CCCC2)n1C1CCCC1.
What is the InChIKey of 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is ZQTRDZNHAAFXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-17-18-14(19(12)13-6-2-3-7-13)10-16(11-15(20)21)8-4-5-9-16/h13H,2-11H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61362593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).