N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H23Cl2N5 — CID 10111093

IUPACN-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3
InChIKeyDSMNDHLPJLBMQV-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.34
Rot. Bonds6

About N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10111093) has the molecular formula C19H23Cl2N5 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10111093
Molecular FormulaC19H23Cl2N5
Molecular Weight392.33 g/mol
Exact Mass391.13
IUPAC NameN-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3
InChIKeyDSMNDHLPJLBMQV-UHFFFAOYSA-N
XLogP5.34
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 10111093) is N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12.
What is the InChIKey of N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is DSMNDHLPJLBMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 392.33 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-(2,4-dichlorophenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10111093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).