N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H21N5O2 — CID 78799849

IUPACN,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CCOC)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H21N5O2/c1-23-10-8-21(9-11-24-2)16-12-15(14-6-4-3-5-7-14)20-17-18-13-19-22(16)17/h3-7,12-13H,8-11H2,1-2H3
InChIKeyYRHKARYPLMBKJJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.89
Rot. Bonds8

About N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 78799849) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID78799849
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN(CCOC)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H21N5O2/c1-23-10-8-21(9-11-24-2)16-12-15(14-6-4-3-5-7-14)20-17-18-13-19-22(16)17/h3-7,12-13H,8-11H2,1-2H3
InChIKeyYRHKARYPLMBKJJ-UHFFFAOYSA-N
XLogP1.89
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 78799849) is N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCCN(CCOC)c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YRHKARYPLMBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-23-10-8-21(9-11-24-2)16-12-15(14-6-4-3-5-7-14)20-17-18-13-19-22(16)17/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.39 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 78799849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).