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

C18H12ClN5O — CID 2818852

IUPAC4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3ccccc3)nn2c1-c1ccccc1Cl
InChIInChI=1S/C18H12ClN5O/c19-13-9-5-4-8-12(13)17-16(18(20)25)22-21-15-10-14(23-24(15)17)11-6-2-1-3-7-11/h1-10H,(H2,20,25)
InChIKeyMVXZTFGHNYAULN-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.21
Rot. Bonds3

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

4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 2818852) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID2818852
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC Name4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3ccccc3)nn2c1-c1ccccc1Cl
InChIInChI=1S/C18H12ClN5O/c19-13-9-5-4-8-12(13)17-16(18(20)25)22-21-15-10-14(23-24(15)17)11-6-2-1-3-7-11/h1-10H,(H2,20,25)
InChIKeyMVXZTFGHNYAULN-UHFFFAOYSA-N
XLogP3.21
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 2818852) is 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is NC(=O)c1nnc2cc(-c3ccccc3)nn2c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is MVXZTFGHNYAULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-13-9-5-4-8-12(13)17-16(18(20)25)22-21-15-10-14(23-24(15)17)11-6-2-1-3-7-11/h1-10H,(H2,20,25).
What are the key properties of 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 2818852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).