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

C22H27N5 — CID 18675570

IUPAC8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1cc(C)c(Nc2nc(C)nc3c(C(C4CC4)C4CC4)cnn23)c(C)c1
InChIInChI=1S/C22H27N5/c1-12-9-13(2)20(14(3)10-12)26-22-25-15(4)24-21-18(11-23-27(21)22)19(16-5-6-16)17-7-8-17/h9-11,16-17,19H,5-8H2,1-4H3,(H,24,25,26)
InChIKeyGXOSVTMPYQXQDN-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.01
Rot. Bonds5

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

8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 18675570) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID18675570
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1cc(C)c(Nc2nc(C)nc3c(C(C4CC4)C4CC4)cnn23)c(C)c1
InChIInChI=1S/C22H27N5/c1-12-9-13(2)20(14(3)10-12)26-22-25-15(4)24-21-18(11-23-27(21)22)19(16-5-6-16)17-7-8-17/h9-11,16-17,19H,5-8H2,1-4H3,(H,24,25,26)
InChIKeyGXOSVTMPYQXQDN-UHFFFAOYSA-N
XLogP5.01
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 18675570) is 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is Cc1cc(C)c(Nc2nc(C)nc3c(C(C4CC4)C4CC4)cnn23)c(C)c1.
What is the InChIKey of 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is GXOSVTMPYQXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-12-9-13(2)20(14(3)10-12)26-22-25-15(4)24-21-18(11-23-27(21)22)19(16-5-6-16)17-7-8-17/h9-11,16-17,19H,5-8H2,1-4H3,(H,24,25,26).
What are the key properties of 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dicyclopropylmethyl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 18675570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).