2H-triazole;hydrochloride

C2H4ClN3 — CID 22133982

IUPAC2H-triazole;hydrochloride
SMILESCl.c1cn[nH]n1
InChIInChI=1S/C2H3N3.ClH/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H
InChIKeyDGBNUTJYQXQLSV-UHFFFAOYSA-N
MW105.53 g/mol
LogP0.23
Rot. Bonds

About 2H-triazole;hydrochloride

2H-triazole;hydrochloride (PubChem CID 22133982) has the molecular formula C2H4ClN3 and a molecular weight of 105.53 g/mol. Its IUPAC name is 2H-triazole;hydrochloride.

Molecular Properties

Compound Name2H-triazole;hydrochloride
PubChem CID22133982
Molecular FormulaC2H4ClN3
Molecular Weight105.53 g/mol
Exact Mass105.01
IUPAC Name2H-triazole;hydrochloride
SMILESCl.c1cn[nH]n1
InChIInChI=1S/C2H3N3.ClH/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H
InChIKeyDGBNUTJYQXQLSV-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.53
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-1,2,3-Triazole
CID 67516
2-Methyl-1,2,3-triazole
CID 140449
5-Iodo-1,2,3-triazole
CID 19365942
1H-1,2,3-Triazol-1-amine
CID 3825723
2-(Chloromethyl)-2H-1,2,3-triazole
CID 20205328
1H-1,2,3-triazol-1-amine hydrochloride
CID 121552667
4-Fluoro-2H-1,2,3-triazole
CID 19365949
Triazole-2-thiol
CID 18177259
Triazole sulfide
CID 18186100
5-Chloro-1H-1,2,3-triazole
CID 19365977
CID 19710869
CID 19710869
Triazole hydrate
CID 19755304

Frequently Asked Questions

What is the IUPAC name of 2H-triazole;hydrochloride?
The IUPAC name of 2H-triazole;hydrochloride (CID 22133982) is 2H-triazole;hydrochloride.
What is the SMILES notation for 2H-triazole;hydrochloride?
The canonical SMILES for 2H-triazole;hydrochloride is Cl.c1cn[nH]n1.
What is the InChIKey of 2H-triazole;hydrochloride?
The InChIKey is DGBNUTJYQXQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.ClH/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H.
What are the key properties of 2H-triazole;hydrochloride?
2H-triazole;hydrochloride has a molecular weight of 105.53 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole;hydrochloride is sourced from PubChem (CID 22133982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).