8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H22N6O2 — CID 135356312

IUPAC8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4cccnc4)nc(C)nc23)cc1OC
InChIInChI=1S/C21H22N6O2/c1-13-19(16-7-8-17(28-3)18(10-16)29-4)20-24-14(2)25-21(27(20)26-13)23-12-15-6-5-9-22-11-15/h5-11H,12H2,1-4H3,(H,23,24,25)
InChIKeyANMDHEUWJCCQAZ-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.43
Rot. Bonds6

About 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 135356312) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID135356312
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4cccnc4)nc(C)nc23)cc1OC
InChIInChI=1S/C21H22N6O2/c1-13-19(16-7-8-17(28-3)18(10-16)29-4)20-24-14(2)25-21(27(20)26-13)23-12-15-6-5-9-22-11-15/h5-11H,12H2,1-4H3,(H,23,24,25)
InChIKeyANMDHEUWJCCQAZ-UHFFFAOYSA-N
XLogP3.43
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 135356312) is 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is COc1ccc(-c2c(C)nn3c(NCc4cccnc4)nc(C)nc23)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is ANMDHEUWJCCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-19(16-7-8-17(28-3)18(10-16)29-4)20-24-14(2)25-21(27(20)26-13)23-12-15-6-5-9-22-11-15/h5-11H,12H2,1-4H3,(H,23,24,25).
What are the key properties of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 390.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 135356312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).