4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C18H13ClN6O — CID 1492949

IUPAC4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2)nnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H13ClN6O/c19-12-6-8-13(9-7-12)21-18(26)16-17(20)25-15(22-23-16)10-14(24-25)11-4-2-1-3-5-11/h1-10H,20H2,(H,21,26)
InChIKeyWKZHUDHXHGCHOT-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.28
Rot. Bonds3

About 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 1492949) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID1492949
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2)nnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H13ClN6O/c19-12-6-8-13(9-7-12)21-18(26)16-17(20)25-15(22-23-16)10-14(24-25)11-4-2-1-3-5-11/h1-10H,20H2,(H,21,26)
InChIKeyWKZHUDHXHGCHOT-UHFFFAOYSA-N
XLogP3.28
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 1492949) is 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Nc1c(C(=O)Nc2ccc(Cl)cc2)nnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is WKZHUDHXHGCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-12-6-8-13(9-7-12)21-18(26)16-17(20)25-15(22-23-16)10-14(24-25)11-4-2-1-3-5-11/h1-10H,20H2,(H,21,26).
What are the key properties of 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 1492949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).