8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H29N5O3 — CID 42618188

IUPAC8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C21H29N5O3/c1-8-25(9-10-27-5)21-23-15(4)22-20-19(14(3)24-26(20)21)18-13(2)11-16(28-6)12-17(18)29-7/h11-12H,8-10H2,1-7H3
InChIKeyMQAKOJWVEASQLW-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.21
Rot. Bonds8

About 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618188) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618188
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C21H29N5O3/c1-8-25(9-10-27-5)21-23-15(4)22-20-19(14(3)24-26(20)21)18-13(2)11-16(28-6)12-17(18)29-7/h11-12H,8-10H2,1-7H3
InChIKeyMQAKOJWVEASQLW-UHFFFAOYSA-N
XLogP3.21
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618188) is 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is MQAKOJWVEASQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-8-25(9-10-27-5)21-23-15(4)22-20-19(14(3)24-26(20)21)18-13(2)11-16(28-6)12-17(18)29-7/h11-12H,8-10H2,1-7H3.
What are the key properties of 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxy-6-methylphenyl)-N-ethyl-N-(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).