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

C19H15N5O — CID 11724105

IUPAC4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H15N5O/c1-13-18(19(25)20-15-10-6-3-7-11-15)22-21-17-12-16(23-24(13)17)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,25)
InChIKeyPNQSEXUMYSYGLP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.35
Rot. Bonds3

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

4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 11724105) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID11724105
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H15N5O/c1-13-18(19(25)20-15-10-6-3-7-11-15)22-21-17-12-16(23-24(13)17)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,25)
InChIKeyPNQSEXUMYSYGLP-UHFFFAOYSA-N
XLogP3.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 11724105) is 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1c(C(=O)Nc2ccccc2)nnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is PNQSEXUMYSYGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-18(19(25)20-15-10-6-3-7-11-15)22-21-17-12-16(23-24(13)17)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,25).
What are the key properties of 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,7-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 11724105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).