7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C17H13ClN6 — CID 11089014

IUPAC7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C17H13ClN6/c18-12-8-6-11(7-9-12)14-10-15-21-16(19)22-17(24(15)23-14)20-13-4-2-1-3-5-13/h1-10H,(H3,19,20,21,22)
InChIKeyNTJSCIFOZHCENM-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.77
Rot. Bonds3

About 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 11089014) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID11089014
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C17H13ClN6/c18-12-8-6-11(7-9-12)14-10-15-21-16(19)22-17(24(15)23-14)20-13-4-2-1-3-5-13/h1-10H,(H3,19,20,21,22)
InChIKeyNTJSCIFOZHCENM-UHFFFAOYSA-N
XLogP3.77
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 164946401
6-chloro-2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 784545
4-amino-N-(4-chlorophenyl)-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 1492949
2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16641334
5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 10087082
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
1-(2-bromophenyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 43542919
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
5-chloro-2-phenylpyrazolo[1,5-a]quinazoline
CID 73334175
4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11714205
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 11089014) is 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is Nc1nc(Nc2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is NTJSCIFOZHCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c18-12-8-6-11(7-9-12)14-10-15-21-16(19)22-17(24(15)23-14)20-13-4-2-1-3-5-13/h1-10H,(H3,19,20,21,22).
What are the key properties of 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 336.79 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 11089014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).