4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C14H11N7O — CID 1492988

IUPAC4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nnc3c(C#N)cnn3c2N)cc1
InChIInChI=1S/C14H11N7O/c1-8-2-4-10(5-3-8)18-14(22)11-12(16)21-13(20-19-11)9(6-15)7-17-21/h2-5,7H,16H2,1H3,(H,18,22)
InChIKeyONUFHAPCKWINKC-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.14
Rot. Bonds2

About 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 1492988) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID1492988
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nnc3c(C#N)cnn3c2N)cc1
InChIInChI=1S/C14H11N7O/c1-8-2-4-10(5-3-8)18-14(22)11-12(16)21-13(20-19-11)9(6-15)7-17-21/h2-5,7H,16H2,1H3,(H,18,22)
InChIKeyONUFHAPCKWINKC-UHFFFAOYSA-N
XLogP1.14
TPSA121.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667
4-amino-N-(4-methoxyphenyl)-7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1493016
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731
4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
CID 143927342
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
2-(2-cyanophenyl)-N-(4-methylphenyl)acetamide
CID 134694438
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
5-amino-N-(2,3-dimethylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853818
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide
CID 139822594
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 6954246
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 1492988) is 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1ccc(NC(=O)c2nnc3c(C#N)cnn3c2N)cc1.
What is the InChIKey of 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is ONUFHAPCKWINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c1-8-2-4-10(5-3-8)18-14(22)11-12(16)21-13(20-19-11)9(6-15)7-17-21/h2-5,7H,16H2,1H3,(H,18,22).
What are the key properties of 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-cyano-N-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 1492988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).