1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine

C7H10N6 — CID 61278116

IUPAC1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine
SMILESCc1nc(-c2cnn(C)c2N)n[nH]1
InChIInChI=1S/C7H10N6/c1-4-10-7(12-11-4)5-3-9-13(2)6(5)8/h3H,8H2,1-2H3,(H,10,11,12)
InChIKeyVQOWBMLNOGKEPU-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.10
Rot. Bonds1

About 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine

1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine (PubChem CID 61278116) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine
PubChem CID61278116
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine
SMILESCc1nc(-c2cnn(C)c2N)n[nH]1
InChIInChI=1S/C7H10N6/c1-4-10-7(12-11-4)5-3-9-13(2)6(5)8/h3H,8H2,1-2H3,(H,10,11,12)
InChIKeyVQOWBMLNOGKEPU-UHFFFAOYSA-N
XLogP0.10
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine (CID 61278116) is 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine is Cc1nc(-c2cnn(C)c2N)n[nH]1.
What is the InChIKey of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine?
The InChIKey is VQOWBMLNOGKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-4-10-7(12-11-4)5-3-9-13(2)6(5)8/h3H,8H2,1-2H3,(H,10,11,12).
What are the key properties of 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine?
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine has a molecular weight of 178.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine is sourced from PubChem (CID 61278116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).