4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C20H17N5O — CID 6462995

IUPAC4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccccc1
InChIInChI=1S/C20H17N5O/c1-13-17(15-9-5-3-6-10-15)19-23-22-18(14(2)25(19)24-13)20(26)21-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,26)
InChIKeyZHZRXEYDBGRWIW-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.66
Rot. Bonds3

About 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 6462995) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID6462995
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccccc1
InChIInChI=1S/C20H17N5O/c1-13-17(15-9-5-3-6-10-15)19-23-22-18(14(2)25(19)24-13)20(26)21-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,26)
InChIKeyZHZRXEYDBGRWIW-UHFFFAOYSA-N
XLogP3.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 6462995) is 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccccc1.
What is the InChIKey of 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is ZHZRXEYDBGRWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-17(15-9-5-3-6-10-15)19-23-22-18(14(2)25(19)24-13)20(26)21-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,21,26).
What are the key properties of 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 6462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).