1,2,4-triazol-4-amine;hydrochloride

C2H5ClN4 — CID 2774270

IUPAC1,2,4-triazol-4-amine;hydrochloride
SMILESCl.Nn1cnnc1
InChIInChI=1S/C2H4N4.ClH/c3-6-1-4-5-2-6;/h1-2H,3H2;1H
InChIKeyBSMKWRYLGIMNSN-UHFFFAOYSA-N
MW120.54 g/mol
LogP-0.59
Rot. Bonds

About 1,2,4-triazol-4-amine;hydrochloride

1,2,4-triazol-4-amine;hydrochloride (PubChem CID 2774270) has the molecular formula C2H5ClN4 and a molecular weight of 120.54 g/mol. Its IUPAC name is 1,2,4-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1,2,4-triazol-4-amine;hydrochloride
PubChem CID2774270
Molecular FormulaC2H5ClN4
Molecular Weight120.54 g/mol
Exact Mass120.02
IUPAC Name1,2,4-triazol-4-amine;hydrochloride
SMILESCl.Nn1cnnc1
InChIInChI=1S/C2H4N4.ClH/c3-6-1-4-5-2-6;/h1-2H,3H2;1H
InChIKeyBSMKWRYLGIMNSN-UHFFFAOYSA-N
XLogP-0.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.54
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-4-amine;hydrochloride?
The IUPAC name of 1,2,4-triazol-4-amine;hydrochloride (CID 2774270) is 1,2,4-triazol-4-amine;hydrochloride.
What is the SMILES notation for 1,2,4-triazol-4-amine;hydrochloride?
The canonical SMILES for 1,2,4-triazol-4-amine;hydrochloride is Cl.Nn1cnnc1.
What is the InChIKey of 1,2,4-triazol-4-amine;hydrochloride?
The InChIKey is BSMKWRYLGIMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.ClH/c3-6-1-4-5-2-6;/h1-2H,3H2;1H.
What are the key properties of 1,2,4-triazol-4-amine;hydrochloride?
1,2,4-triazol-4-amine;hydrochloride has a molecular weight of 120.54 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazol-4-amine;hydrochloride is sourced from PubChem (CID 2774270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).