N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H31N5O2 — CID 42618187

IUPACN-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C22H31N5O2/c1-8-10-11-26(9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h12-13H,8-11H2,1-7H3
InChIKeyAMYBMROKOODFQT-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.36
Rot. Bonds8

About N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618187) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618187
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C22H31N5O2/c1-8-10-11-26(9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h12-13H,8-11H2,1-7H3
InChIKeyAMYBMROKOODFQT-UHFFFAOYSA-N
XLogP4.36
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

Bms-561388
CID 9908904
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25138077
Pyrazolo[1,5-a]-1,3,5-triazine, 12-21
CID 42618183
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
Pyrazolo[1,5-a]-1,3,5-triazine, 12-16
CID 9820671
Pyrazolo[1,5-a]-1,3,5-triazine, 12-1
CID 42618165
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
Pyrazolo[1,5-a]-1,3,5-triazine, 12-4
CID 42618167
Pyrazolo[1,5-a]-1,3,5-triazine, 12-5
CID 42618168
Pyrazolo[1,5-a]-1,3,5-triazine, 12-6
CID 42618169
Pyrazolo[1,5-a]-1,3,5-triazine, 12-7
CID 42618170

Frequently Asked Questions

What is the IUPAC name of N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618187) is N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-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-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is AMYBMROKOODFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-8-10-11-26(9-2)22-24-16(5)23-21-20(15(4)25-27(21)22)19-14(3)12-17(28-6)13-18(19)29-7/h12-13H,8-11H2,1-7H3.
What are the key properties of N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 397.52 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).