3-(1-methyltriazol-4-yl)propanoic acid

C6H9N3O2 — CID 21284782

IUPAC3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(CCC(=O)O)nn1
InChIInChI=1S/C6H9N3O2/c1-9-4-5(7-8-9)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyTWNQWBBLAMCLMM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.17
Rot. Bonds3

About 3-(1-methyltriazol-4-yl)propanoic acid

3-(1-methyltriazol-4-yl)propanoic acid (PubChem CID 21284782) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(1-methyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methyltriazol-4-yl)propanoic acid
PubChem CID21284782
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(CCC(=O)O)nn1
InChIInChI=1S/C6H9N3O2/c1-9-4-5(7-8-9)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyTWNQWBBLAMCLMM-UHFFFAOYSA-N
XLogP-0.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid
CID 107461039
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965
methyl 6-(1-methyltriazol-4-yl)-4-oxohexanoate
CID 107054457
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
4-(1-methyltriazol-4-yl)butaneperoxoic acid
CID 177359590
3-[1-(3-hydroxy-3-methylbutyl)triazol-4-yl]propanoic acid
CID 107460771
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
3-[4-methyl-N-[(1-methyltriazol-4-yl)methyl]anilino]propanoic acid
CID 107044834
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
3-(1-phenyltriazol-4-yl)propanoic acid
CID 15619013

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltriazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-methyltriazol-4-yl)propanoic acid (CID 21284782) is 3-(1-methyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-methyltriazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-methyltriazol-4-yl)propanoic acid is Cn1cc(CCC(=O)O)nn1.
What is the InChIKey of 3-(1-methyltriazol-4-yl)propanoic acid?
The InChIKey is TWNQWBBLAMCLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-4-5(7-8-9)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-(1-methyltriazol-4-yl)propanoic acid?
3-(1-methyltriazol-4-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 21284782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).