8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine

C23H31N5O2 — CID 42618192

IUPAC8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCC1CCCCN1c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C23H31N5O2/c1-7-17-10-8-9-11-27(17)23-25-16(4)24-22-21(15(3)26-28(22)23)20-14(2)12-18(29-5)13-19(20)30-6/h12-13,17H,7-11H2,1-6H3
InChIKeyKTWIOSSRYMSRAX-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.50
Rot. Bonds5

About 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine

8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 42618192) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID42618192
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
SMILESCCC1CCCCN1c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C23H31N5O2/c1-7-17-10-8-9-11-27(17)23-25-16(4)24-22-21(15(3)26-28(22)23)20-14(2)12-18(29-5)13-19(20)30-6/h12-13,17H,7-11H2,1-6H3
InChIKeyKTWIOSSRYMSRAX-UHFFFAOYSA-N
XLogP4.50
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine (CID 42618192) is 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine is CCC1CCCCN1c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is KTWIOSSRYMSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-7-17-10-8-9-11-27(17)23-25-16(4)24-22-21(15(3)26-28(22)23)20-14(2)12-18(29-5)13-19(20)30-6/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine?
8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 409.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxy-6-methylphenyl)-4-(2-ethylpiperidin-1-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 42618192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).