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

C9H13N3O3 — CID 83885364

IUPAC3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid
SMILESCOc1nnc(CCC(=O)O)n1C1CC1
InChIInChI=1S/C9H13N3O3/c1-15-9-11-10-7(4-5-8(13)14)12(9)6-2-3-6/h6H,2-5H2,1H3,(H,13,14)
InChIKeyVENIRPUPFLVZHN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.64
Rot. Bonds5

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

3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid (PubChem CID 83885364) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid
PubChem CID83885364
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid
SMILESCOc1nnc(CCC(=O)O)n1C1CC1
InChIInChI=1S/C9H13N3O3/c1-15-9-11-10-7(4-5-8(13)14)12(9)6-2-3-6/h6H,2-5H2,1H3,(H,13,14)
InChIKeyVENIRPUPFLVZHN-UHFFFAOYSA-N
XLogP0.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine
CID 83879942
3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid
CID 83886046
3-(1-cyclobutyl-5-methylimidazol-2-yl)propanoic acid
CID 83883905
3-[5-(cyclopropylamino)-4-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 83884997
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
2-[[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113300697
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
2-[[4-cyclopropyl-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392156
5-(4-cyclopropyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62697010
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-phenylpropanamide
CID 90130787
3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylcarbamoylamino]propanoic acid
CID 122000614
3-(chloromethyl)-4-cyclopropyl-5-(3-methoxypropyl)-1,2,4-triazole
CID 115397748

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid?
The IUPAC name of 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid (CID 83885364) is 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid is COc1nnc(CCC(=O)O)n1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid?
The InChIKey is VENIRPUPFLVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-15-9-11-10-7(4-5-8(13)14)12(9)6-2-3-6/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid?
3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid is sourced from PubChem (CID 83885364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).