8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H17Cl2N5 — CID 10763375

IUPAC8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nc(N(C)c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C20H17Cl2N5/c1-12-18(16-10-9-14(21)11-17(16)22)19-23-13(2)24-20(27(19)25-12)26(3)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyBMNPZNUJVQUBFH-UHFFFAOYSA-N
MW398.30 g/mol
LogP5.48
Rot. Bonds3

About 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10763375) has the molecular formula C20H17Cl2N5 and a molecular weight of 398.30 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10763375
Molecular FormulaC20H17Cl2N5
Molecular Weight398.30 g/mol
Exact Mass397.09
IUPAC Name8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nc(N(C)c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C20H17Cl2N5/c1-12-18(16-10-9-14(21)11-17(16)22)19-23-13(2)24-20(27(19)25-12)26(3)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyBMNPZNUJVQUBFH-UHFFFAOYSA-N
XLogP5.48
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 10763375) is 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine is Cc1nc(N(C)c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is BMNPZNUJVQUBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5/c1-12-18(16-10-9-14(21)11-17(16)22)19-23-13(2)24-20(27(19)25-12)26(3)15-7-5-4-6-8-15/h4-11H,1-3H3.
What are the key properties of 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 398.30 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N,2,7-trimethyl-N-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).