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

C5H9ClN4O2 — CID 71756266

IUPAC2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride
SMILESCl.NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C5H8N4O2.ClH/c6-1-4-2-9(8-7-4)3-5(10)11;/h2H,1,3,6H2,(H,10,11);1H
InChIKeyHULZHVFPZYNWOT-UHFFFAOYSA-N
MW192.61 g/mol
LogP-0.76
Rot. Bonds3

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

2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride (PubChem CID 71756266) has the molecular formula C5H9ClN4O2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride
PubChem CID71756266
Molecular FormulaC5H9ClN4O2
Molecular Weight192.61 g/mol
Exact Mass192.04
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride
SMILESCl.NCc1cn(CC(=O)O)nn1
InChIInChI=1S/C5H8N4O2.ClH/c6-1-4-2-9(8-7-4)3-5(10)11;/h2H,1,3,6H2,(H,10,11);1H
InChIKeyHULZHVFPZYNWOT-UHFFFAOYSA-N
XLogP-0.76
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 5-0.76
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;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride (CID 71756266) is 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride is Cl.NCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride?
The InChIKey is HULZHVFPZYNWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2.ClH/c6-1-4-2-9(8-7-4)3-5(10)11;/h2H,1,3,6H2,(H,10,11);1H.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride?
2-[4-(aminomethyl)triazol-1-yl]acetic acid;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of -0.76, 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;hydrochloride is sourced from PubChem (CID 71756266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).