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

C13H19N3O2 — CID 55108676

IUPAC2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nncn2C2CC2)CCCC1
InChIInChI=1S/C13H19N3O2/c17-12(18)8-13(5-1-2-6-13)7-11-15-14-9-16(11)10-3-4-10/h9-10H,1-8H2,(H,17,18)
InChIKeyBPNHFRSLVDQREN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds5

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

2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (PubChem CID 55108676) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
PubChem CID55108676
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nncn2C2CC2)CCCC1
InChIInChI=1S/C13H19N3O2/c17-12(18)8-13(5-1-2-6-13)7-11-15-14-9-16(11)10-3-4-10/h9-10H,1-8H2,(H,17,18)
InChIKeyBPNHFRSLVDQREN-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (CID 55108676) is 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nncn2C2CC2)CCCC1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is BPNHFRSLVDQREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(18)8-13(5-1-2-6-13)7-11-15-14-9-16(11)10-3-4-10/h9-10H,1-8H2,(H,17,18).
What are the key properties of 2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.19, 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-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 55108676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).