4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid

C9H15N3O2 — CID 61376277

IUPAC4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
SMILESCCn1c(C)nnc1CCCC(=O)O
InChIInChI=1S/C9H15N3O2/c1-3-12-7(2)10-11-8(12)5-4-6-9(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyBSBFEFPLKARPLU-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.01
Rot. Bonds5

About 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid

4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid (PubChem CID 61376277) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
PubChem CID61376277
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid
SMILESCCn1c(C)nnc1CCCC(=O)O
InChIInChI=1S/C9H15N3O2/c1-3-12-7(2)10-11-8(12)5-4-6-9(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyBSBFEFPLKARPLU-UHFFFAOYSA-N
XLogP1.01
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazole-5-carboxylic acid
CID 10012280
3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 47002137
4-(dimethyl-4H-1,2,4-triazol-3-yl)butanoic acid
CID 50988979
4-(4-Methyl-4h-1,2,4-triazol-3-yl)butanoic acid
CID 62692605
3-tert-butyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 81495376
2-(4-ethyl-4H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 146083014
2-(4-ethyl-4H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 62694471
4-(3-Methyl-5-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-4-yl)butanoic acid
CID 168026277
3-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 57907624
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43524948
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 43524949
(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 51921924

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
The IUPAC name of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid (CID 61376277) is 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid is CCn1c(C)nnc1CCCC(=O)O.
What is the InChIKey of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
The InChIKey is BSBFEFPLKARPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12-7(2)10-11-8(12)5-4-6-9(13)14/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid?
4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid has a molecular weight of 197.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butanoic acid is sourced from PubChem (CID 61376277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).