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

C7H10N6 — CID 601073

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine
SMILESCc1cc(C)n(-c2nncn2N)n1
InChIInChI=1S/C7H10N6/c1-5-3-6(2)13(11-5)7-10-9-4-12(7)8/h3-4H,8H2,1-2H3
InChIKeyZEYWMRPXQKIMIK-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.21
Rot. Bonds1

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

3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine (PubChem CID 601073) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine
PubChem CID601073
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine
SMILESCc1cc(C)n(-c2nncn2N)n1
InChIInChI=1S/C7H10N6/c1-5-3-6(2)13(11-5)7-10-9-4-12(7)8/h3-4H,8H2,1-2H3
InChIKeyZEYWMRPXQKIMIK-UHFFFAOYSA-N
XLogP-0.21
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.21
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)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine (CID 601073) is 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine is Cc1cc(C)n(-c2nncn2N)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine?
The InChIKey is ZEYWMRPXQKIMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-5-3-6(2)13(11-5)7-10-9-4-12(7)8/h3-4H,8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine?
3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine has a molecular weight of 178.20 g/mol, XLogP of -0.21, 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)-1,2,4-triazol-4-amine is sourced from PubChem (CID 601073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).