2H-triazol-4-ylmethanamine;hydrochloride

C3H7ClN4 — CID 25241963

IUPAC2H-triazol-4-ylmethanamine;hydrochloride
SMILESCl.NCc1cn[nH]n1
InChIInChI=1S/C3H6N4.ClH/c4-1-3-2-5-7-6-3;/h2H,1,4H2,(H,5,6,7);1H
InChIKeyOEEMEPMSCVBCQI-UHFFFAOYSA-N
MW134.57 g/mol
LogP-0.31
Rot. Bonds1

About 2H-triazol-4-ylmethanamine;hydrochloride

2H-triazol-4-ylmethanamine;hydrochloride (PubChem CID 25241963) has the molecular formula C3H7ClN4 and a molecular weight of 134.57 g/mol. Its IUPAC name is 2H-triazol-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name2H-triazol-4-ylmethanamine;hydrochloride
PubChem CID25241963
Molecular FormulaC3H7ClN4
Molecular Weight134.57 g/mol
Exact Mass134.04
IUPAC Name2H-triazol-4-ylmethanamine;hydrochloride
SMILESCl.NCc1cn[nH]n1
InChIInChI=1S/C3H6N4.ClH/c4-1-3-2-5-7-6-3;/h2H,1,4H2,(H,5,6,7);1H
InChIKeyOEEMEPMSCVBCQI-UHFFFAOYSA-N
XLogP-0.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-ylmethanamine;hydrochloride?
The IUPAC name of 2H-triazol-4-ylmethanamine;hydrochloride (CID 25241963) is 2H-triazol-4-ylmethanamine;hydrochloride.
What is the SMILES notation for 2H-triazol-4-ylmethanamine;hydrochloride?
The canonical SMILES for 2H-triazol-4-ylmethanamine;hydrochloride is Cl.NCc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylmethanamine;hydrochloride?
The InChIKey is OEEMEPMSCVBCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.ClH/c4-1-3-2-5-7-6-3;/h2H,1,4H2,(H,5,6,7);1H.
What are the key properties of 2H-triazol-4-ylmethanamine;hydrochloride?
2H-triazol-4-ylmethanamine;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 25241963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).