N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine

C20H26N6 — CID 169153997

IUPACN-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCCN1CCCC(Nc2nnc(-c3ccc(C)cc3)c3cc(C)nn23)C1
InChIInChI=1S/C20H26N6/c1-4-25-11-5-6-17(13-25)21-20-23-22-19(16-9-7-14(2)8-10-16)18-12-15(3)24-26(18)20/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,21,23)
InChIKeyJSHLHSDYNCYKLA-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.30
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine

N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine (PubChem CID 169153997) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine
PubChem CID169153997
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine
SMILESCCN1CCCC(Nc2nnc(-c3ccc(C)cc3)c3cc(C)nn23)C1
InChIInChI=1S/C20H26N6/c1-4-25-11-5-6-17(13-25)21-20-23-22-19(16-9-7-14(2)8-10-16)18-12-15(3)24-26(18)20/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,21,23)
InChIKeyJSHLHSDYNCYKLA-UHFFFAOYSA-N
XLogP3.30
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine (CID 169153997) is N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine is CCN1CCCC(Nc2nnc(-c3ccc(C)cc3)c3cc(C)nn23)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine?
The InChIKey is JSHLHSDYNCYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-4-25-11-5-6-17(13-25)21-20-23-22-19(16-9-7-14(2)8-10-16)18-12-15(3)24-26(18)20/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,21,23).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine?
N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine has a molecular weight of 350.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2-methyl-4-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-7-amine is sourced from PubChem (CID 169153997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).