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

C9H13N3O2 — CID 61378419

IUPAC3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid
SMILESCc1nnc(CCC(=O)O)n1C1CC1
InChIInChI=1S/C9H13N3O2/c1-6-10-11-8(4-5-9(13)14)12(6)7-2-3-7/h7H,2-5H2,1H3,(H,13,14)
InChIKeyAZDKAOVLNDGLNR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.94
Rot. Bonds4

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

3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid (PubChem CID 61378419) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid
PubChem CID61378419
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid
SMILESCc1nnc(CCC(=O)O)n1C1CC1
InChIInChI=1S/C9H13N3O2/c1-6-10-11-8(4-5-9(13)14)12(6)7-2-3-7/h7H,2-5H2,1H3,(H,13,14)
InChIKeyAZDKAOVLNDGLNR-UHFFFAOYSA-N
XLogP0.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
The IUPAC name of 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid (CID 61378419) is 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid is Cc1nnc(CCC(=O)O)n1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
The InChIKey is AZDKAOVLNDGLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-10-11-8(4-5-9(13)14)12(6)7-2-3-7/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid?
3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propanoic acid is sourced from PubChem (CID 61378419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).