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

C12H12N6 — CID 62709739

IUPAC1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
SMILESCn1ncc(-c2nncn2-c2ccccc2)c1N
InChIInChI=1S/C12H12N6/c1-17-11(13)10(7-15-17)12-16-14-8-18(12)9-5-3-2-4-6-9/h2-8H,13H2,1H3
InChIKeyYOFADJZZMSZZTQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds2

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

1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine (PubChem CID 62709739) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
PubChem CID62709739
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
SMILESCn1ncc(-c2nncn2-c2ccccc2)c1N
InChIInChI=1S/C12H12N6/c1-17-11(13)10(7-15-17)12-16-14-8-18(12)9-5-3-2-4-6-9/h2-8H,13H2,1H3
InChIKeyYOFADJZZMSZZTQ-UHFFFAOYSA-N
XLogP1.25
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine (CID 62709739) is 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine is Cn1ncc(-c2nncn2-c2ccccc2)c1N.
What is the InChIKey of 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine?
The InChIKey is YOFADJZZMSZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-17-11(13)10(7-15-17)12-16-14-8-18(12)9-5-3-2-4-6-9/h2-8H,13H2,1H3.
What are the key properties of 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine?
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine is sourced from PubChem (CID 62709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).