2-[4-(aminomethyl)triazol-1-yl]acetic acid

C5H8N4O2 — CID 71756267

IUPAC2-[4-(aminomethyl)triazol-1-yl]acetic acid
SMILESNCc1cn(CC(=O)O)nn1
InChIInChI=1S/C5H8N4O2/c6-1-4-2-9(8-7-4)3-5(10)11/h2H,1,3,6H2,(H,10,11)
InChIKeyWKJUOKXLBVVNAP-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.18
Rot. Bonds3

About 2-[4-(aminomethyl)triazol-1-yl]acetic acid

2-[4-(aminomethyl)triazol-1-yl]acetic acid (PubChem CID 71756267) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]acetic acid
PubChem CID71756267
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]acetic acid
SMILESNCc1cn(CC(=O)O)nn1
InChIInChI=1S/C5H8N4O2/c6-1-4-2-9(8-7-4)3-5(10)11/h2H,1,3,6H2,(H,10,11)
InChIKeyWKJUOKXLBVVNAP-UHFFFAOYSA-N
XLogP-1.18
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]acetic acid (CID 71756267) is 2-[4-(aminomethyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]acetic acid is NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]acetic acid?
The InChIKey is WKJUOKXLBVVNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-1-4-2-9(8-7-4)3-5(10)11/h2H,1,3,6H2,(H,10,11).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]acetic acid?
2-[4-(aminomethyl)triazol-1-yl]acetic acid has a molecular weight of 156.15 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 71756267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).