4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C13H11N5O — CID 2818851

IUPAC4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1c(C(N)=O)nnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C13H11N5O/c1-8-12(13(14)19)16-15-11-7-10(17-18(8)11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,19)
InChIKeyYXXJFDANCSZKLZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.20
Rot. Bonds2

About 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 2818851) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID2818851
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1c(C(N)=O)nnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C13H11N5O/c1-8-12(13(14)19)16-15-11-7-10(17-18(8)11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,19)
InChIKeyYXXJFDANCSZKLZ-UHFFFAOYSA-N
XLogP1.20
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 2818851) is 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1c(C(N)=O)nnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is YXXJFDANCSZKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-12(13(14)19)16-15-11-7-10(17-18(8)11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,19).
What are the key properties of 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 2818851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).