8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H29N5O2 — CID 42618177

IUPAC8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C21H29N5O2/c1-8-15(9-2)24-21-23-14(5)22-20-19(13(4)25-26(20)21)18-12(3)10-16(27-6)11-17(18)28-7/h10-11,15H,8-9H2,1-7H3,(H,22,23,24)
InChIKeyXVLUMDJLLNUQIW-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.33
Rot. Bonds7

About 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618177) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618177
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C21H29N5O2/c1-8-15(9-2)24-21-23-14(5)22-20-19(13(4)25-26(20)21)18-12(3)10-16(27-6)11-17(18)28-7/h10-11,15H,8-9H2,1-7H3,(H,22,23,24)
InChIKeyXVLUMDJLLNUQIW-UHFFFAOYSA-N
XLogP4.33
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[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
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
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

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618177) is 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is XVLUMDJLLNUQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-8-15(9-2)24-21-23-14(5)22-20-19(13(4)25-26(20)21)18-12(3)10-16(27-6)11-17(18)28-7/h10-11,15H,8-9H2,1-7H3,(H,22,23,24).
What are the key properties of 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxy-6-methylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).