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

C21H29N5O — CID 42618169

IUPACN-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C21H29N5O/c1-7-9-12-25(8-2)21-23-16(5)22-20-19(15(4)24-26(20)21)18-11-10-17(27-6)13-14(18)3/h10-11,13H,7-9,12H2,1-6H3
InChIKeyQQGJRPUMVFOJSV-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.35
Rot. Bonds7

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

N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618169) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618169
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12
InChIInChI=1S/C21H29N5O/c1-7-9-12-25(8-2)21-23-16(5)22-20-19(15(4)24-26(20)21)18-11-10-17(27-6)13-14(18)3/h10-11,13H,7-9,12H2,1-6H3
InChIKeyQQGJRPUMVFOJSV-UHFFFAOYSA-N
XLogP4.35
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618169) is N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CC)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12.
What is the InChIKey of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is QQGJRPUMVFOJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-7-9-12-25(8-2)21-23-16(5)22-20-19(15(4)24-26(20)21)18-11-10-17(27-6)13-14(18)3/h10-11,13H,7-9,12H2,1-6H3.
What are the key properties of N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).