2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H27N5 — CID 22474342

IUPAC2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12
InChIInChI=1S/C20H27N5/c1-7-16(8-2)24-20-23-15(6)22-19-17(11-21-25(19)20)18-13(4)9-12(3)10-14(18)5/h9-11,16H,7-8H2,1-6H3,(H,22,23,24)
InChIKeyRQIGGHPMLZTZRN-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.63
Rot. Bonds5

About 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 22474342) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID22474342
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12
InChIInChI=1S/C20H27N5/c1-7-16(8-2)24-20-23-15(6)22-19-17(11-21-25(19)20)18-13(4)9-12(3)10-14(18)5/h9-11,16H,7-8H2,1-6H3,(H,22,23,24)
InChIKeyRQIGGHPMLZTZRN-UHFFFAOYSA-N
XLogP4.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 22474342) is 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12.
What is the InChIKey of 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is RQIGGHPMLZTZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-7-16(8-2)24-20-23-15(6)22-19-17(11-21-25(19)20)18-13(4)9-12(3)10-14(18)5/h9-11,16H,7-8H2,1-6H3,(H,22,23,24).
What are the key properties of 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 22474342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).