2H-triazol-4-amine;hydrochloride

C2H5ClN4 — CID 53255492

IUPAC2H-triazol-4-amine;hydrochloride
SMILESCl.Nc1cn[nH]n1
InChIInChI=1S/C2H4N4.ClH/c3-2-1-4-6-5-2;/h1H,(H3,3,4,5,6);1H
InChIKeyINEGPYFBNFXZEK-UHFFFAOYSA-N
MW120.54 g/mol
LogP-0.19
Rot. Bonds

About 2H-triazol-4-amine;hydrochloride

2H-triazol-4-amine;hydrochloride (PubChem CID 53255492) has the molecular formula C2H5ClN4 and a molecular weight of 120.54 g/mol. Its IUPAC name is 2H-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name2H-triazol-4-amine;hydrochloride
PubChem CID53255492
Molecular FormulaC2H5ClN4
Molecular Weight120.54 g/mol
Exact Mass120.02
IUPAC Name2H-triazol-4-amine;hydrochloride
SMILESCl.Nc1cn[nH]n1
InChIInChI=1S/C2H4N4.ClH/c3-2-1-4-6-5-2;/h1H,(H3,3,4,5,6);1H
InChIKeyINEGPYFBNFXZEK-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.54
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-amine;hydrochloride?
The IUPAC name of 2H-triazol-4-amine;hydrochloride (CID 53255492) is 2H-triazol-4-amine;hydrochloride.
What is the SMILES notation for 2H-triazol-4-amine;hydrochloride?
The canonical SMILES for 2H-triazol-4-amine;hydrochloride is Cl.Nc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-amine;hydrochloride?
The InChIKey is INEGPYFBNFXZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.ClH/c3-2-1-4-6-5-2;/h1H,(H3,3,4,5,6);1H.
What are the key properties of 2H-triazol-4-amine;hydrochloride?
2H-triazol-4-amine;hydrochloride has a molecular weight of 120.54 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-amine;hydrochloride is sourced from PubChem (CID 53255492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).