2-(1-methyltriazol-4-yl)acetic acid

C5H7N3O2 — CID 58281215

IUPAC2-(1-methyltriazol-4-yl)acetic acid
SMILESCn1cc(CC(=O)O)nn1
InChIInChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)2-5(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyVZUKUQDSJGWMGB-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.56
Rot. Bonds2

About 2-(1-methyltriazol-4-yl)acetic acid

2-(1-methyltriazol-4-yl)acetic acid (PubChem CID 58281215) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)acetic acid
PubChem CID58281215
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(1-methyltriazol-4-yl)acetic acid
SMILESCn1cc(CC(=O)O)nn1
InChIInChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)2-5(9)10/h3H,2H2,1H3,(H,9,10)
InChIKeyVZUKUQDSJGWMGB-UHFFFAOYSA-N
XLogP-0.56
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 176816953
1-chloro-1,1-difluoro-3-(1-methyltriazol-4-yl)propan-2-one
CID 107047439
2-[(1-methyltriazol-4-yl)methylsulfinyl]acetic acid
CID 104879977
2-[4-[(1-methyltriazol-4-yl)methylsulfonyl]phenyl]acetic acid
CID 107043081
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)acetic acid?
The IUPAC name of 2-(1-methyltriazol-4-yl)acetic acid (CID 58281215) is 2-(1-methyltriazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyltriazol-4-yl)acetic acid is Cn1cc(CC(=O)O)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)acetic acid?
The InChIKey is VZUKUQDSJGWMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)2-5(9)10/h3H,2H2,1H3,(H,9,10).
What are the key properties of 2-(1-methyltriazol-4-yl)acetic acid?
2-(1-methyltriazol-4-yl)acetic acid has a molecular weight of 141.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)acetic acid is sourced from PubChem (CID 58281215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).