5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid

C10H15N3O2 — CID 62697010

IUPAC5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1nncn1C1CC1
InChIInChI=1S/C10H15N3O2/c14-10(15)4-2-1-3-9-12-11-7-13(9)8-5-6-8/h7-8H,1-6H2,(H,14,15)
InChIKeyBLUGNRQQHABWSJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.41
Rot. Bonds6

About 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid

5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid (PubChem CID 62697010) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid
PubChem CID62697010
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1nncn1C1CC1
InChIInChI=1S/C10H15N3O2/c14-10(15)4-2-1-3-9-12-11-7-13(9)8-5-6-8/h7-8H,1-6H2,(H,14,15)
InChIKeyBLUGNRQQHABWSJ-UHFFFAOYSA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid?
The IUPAC name of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid (CID 62697010) is 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid.
What is the SMILES notation for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid?
The canonical SMILES for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid is O=C(O)CCCCc1nncn1C1CC1.
What is the InChIKey of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid?
The InChIKey is BLUGNRQQHABWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)4-2-1-3-9-12-11-7-13(9)8-5-6-8/h7-8H,1-6H2,(H,14,15).
What are the key properties of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid?
5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid is sourced from PubChem (CID 62697010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).