4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

C19H14ClN7 — CID 24779676

IUPAC4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(Nc3ccccc3)nc(NCc3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
InChIKeyQCVULERVJOYHCP-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.01
Rot. Bonds5

About 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (PubChem CID 24779676) has the molecular formula C19H14ClN7 and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
PubChem CID24779676
Molecular FormulaC19H14ClN7
Molecular Weight375.82 g/mol
Exact Mass375.10
IUPAC Name4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
SMILESN#Cc1cnn2c(Nc3ccccc3)nc(NCc3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
InChIKeyQCVULERVJOYHCP-UHFFFAOYSA-N
XLogP4.01
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The IUPAC name of 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile (CID 24779676) is 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile.
What is the SMILES notation for 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The canonical SMILES for 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is N#Cc1cnn2c(Nc3ccccc3)nc(NCc3ccc(Cl)cc3)nc12.
What is the InChIKey of 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
The InChIKey is QCVULERVJOYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26).
What are the key properties of 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile?
4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile has a molecular weight of 375.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile is sourced from PubChem (CID 24779676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).