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

C21H29N5O — CID 42618206

IUPAC8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12
InChIInChI=1S/C21H29N5O/c1-8-16(9-2)24-21-23-15(6)22-20-19(14(5)25-26(20)21)17-10-11-18(27-7)13(4)12(17)3/h10-11,16H,8-9H2,1-7H3,(H,22,23,24)
InChIKeyUTEWLEXAJLMPSL-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.63
Rot. Bonds6

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

8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618206) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618206
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12
InChIInChI=1S/C21H29N5O/c1-8-16(9-2)24-21-23-15(6)22-20-19(14(5)25-26(20)21)17-10-11-18(27-7)13(4)12(17)3/h10-11,16H,8-9H2,1-7H3,(H,22,23,24)
InChIKeyUTEWLEXAJLMPSL-UHFFFAOYSA-N
XLogP4.63
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

Verucerfont
CID 11596613
Pexacerfont
CID 9884366
5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl-
CID 9801039
Bms-561388
CID 9908904
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
3-(6-Ethoxynaphthalen-2-Yl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 53346432
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
Pyrazolo[1,5-a]-1,3,5-triazine, 12-21
CID 42618183
Pyrazolo[1,5-a]-1,3,5-triazine, 12-35
CID 42618197
Pyrazolo[1,5-a]-1,3,5-triazine, 12-15
CID 42618178
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
3-(6-Methoxynaphthalen-2-Yl)-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49850407

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618206) is 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12.
What is the InChIKey of 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UTEWLEXAJLMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-8-16(9-2)24-21-23-15(6)22-20-19(14(5)25-26(20)21)17-10-11-18(27-7)13(4)12(17)3/h10-11,16H,8-9H2,1-7H3,(H,22,23,24).
What are the key properties of 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2,3-dimethylphenyl)-2,7-dimethyl-N-pentan-3-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).