5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine

C12H12N6 — CID 117353163

IUPAC5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESCc1cnn(-c2ccccc2-c2cc(N)n[nH]2)n1
InChIInChI=1S/C12H12N6/c1-8-7-14-18(17-8)11-5-3-2-4-9(11)10-6-12(13)16-15-10/h2-7H,1H3,(H3,13,15,16)
InChIKeyRGRPKZOPRQZFJE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.55
Rot. Bonds2

About 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine

5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117353163) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID117353163
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESCc1cnn(-c2ccccc2-c2cc(N)n[nH]2)n1
InChIInChI=1S/C12H12N6/c1-8-7-14-18(17-8)11-5-3-2-4-9(11)10-6-12(13)16-15-10/h2-7H,1H3,(H3,13,15,16)
InChIKeyRGRPKZOPRQZFJE-UHFFFAOYSA-N
XLogP1.55
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine (CID 117353163) is 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine is Cc1cnn(-c2ccccc2-c2cc(N)n[nH]2)n1.
What is the InChIKey of 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is RGRPKZOPRQZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-7-14-18(17-8)11-5-3-2-4-9(11)10-6-12(13)16-15-10/h2-7H,1H3,(H3,13,15,16).
What are the key properties of 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine?
5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methyltriazol-2-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117353163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).