3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride

C8H13ClN6 — CID 2859124

IUPAC3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride
SMILESCc1cc(C)n(-c2nnc(C)n2N)n1.Cl
InChIInChI=1S/C8H12N6.ClH/c1-5-4-6(2)14(12-5)8-11-10-7(3)13(8)9;/h4H,9H2,1-3H3;1H
InChIKeyLZLWBNYIVSDOQK-UHFFFAOYSA-N
MW228.69 g/mol
LogP0.52
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride

3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride (PubChem CID 2859124) has the molecular formula C8H13ClN6 and a molecular weight of 228.69 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride
PubChem CID2859124
Molecular FormulaC8H13ClN6
Molecular Weight228.69 g/mol
Exact Mass228.09
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride
SMILESCc1cc(C)n(-c2nnc(C)n2N)n1.Cl
InChIInChI=1S/C8H12N6.ClH/c1-5-4-6(2)14(12-5)8-11-10-7(3)13(8)9;/h4H,9H2,1-3H3;1H
InChIKeyLZLWBNYIVSDOQK-UHFFFAOYSA-N
XLogP0.52
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride (CID 2859124) is 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride is Cc1cc(C)n(-c2nnc(C)n2N)n1.Cl.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride?
The InChIKey is LZLWBNYIVSDOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6.ClH/c1-5-4-6(2)14(12-5)8-11-10-7(3)13(8)9;/h4H,9H2,1-3H3;1H.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride?
3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride has a molecular weight of 228.69 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-amine;hydrochloride is sourced from PubChem (CID 2859124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).