5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

C13H15N7 — CID 115945507

IUPAC5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cnn(-c3ccccc3)c2N)n1C
InChIInChI=1S/C13H15N7/c1-15-13-18-17-12(19(13)2)10-8-16-20(11(10)14)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,18)
InChIKeyJMAUYKMDUXCVRK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.29
Rot. Bonds3

About 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 115945507) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID115945507
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cnn(-c3ccccc3)c2N)n1C
InChIInChI=1S/C13H15N7/c1-15-13-18-17-12(19(13)2)10-8-16-20(11(10)14)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,18)
InChIKeyJMAUYKMDUXCVRK-UHFFFAOYSA-N
XLogP1.29
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 115945507) is 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2cnn(-c3ccccc3)c2N)n1C.
What is the InChIKey of 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is JMAUYKMDUXCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-15-13-18-17-12(19(13)2)10-8-16-20(11(10)14)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,18).
What are the key properties of 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 115945507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).