N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H27N5O3 — CID 42618165

IUPACN,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12
InChIInChI=1S/C20H27N5O3/c1-14-18(16-6-8-17(28-5)9-7-16)19-21-15(2)22-20(25(19)23-14)24(10-12-26-3)11-13-27-4/h6-9H,10-13H2,1-5H3
InChIKeyAATALYIJLBSKKQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.52
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618165) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618165
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12
InChIInChI=1S/C20H27N5O3/c1-14-18(16-6-8-17(28-5)9-7-16)19-21-15(2)22-20(25(19)23-14)24(10-12-26-3)11-13-27-4/h6-9H,10-13H2,1-5H3
InChIKeyAATALYIJLBSKKQ-UHFFFAOYSA-N
XLogP2.52
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618165) is N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is AATALYIJLBSKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-18(16-6-8-17(28-5)9-7-16)19-21-15(2)22-20(25(19)23-14)24(10-12-26-3)11-13-27-4/h6-9H,10-13H2,1-5H3.
What are the key properties of N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-8-(4-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).