1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine

C17H20F2N6O — CID 133314695

IUPAC1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
SMILESCOCc1cc(NCC(c2c(F)cccc2F)N(C)C)n2ncnc2n1
InChIInChI=1S/C17H20F2N6O/c1-24(2)14(16-12(18)5-4-6-13(16)19)8-20-15-7-11(9-26-3)23-17-21-10-22-25(15)17/h4-7,10,14,20H,8-9H2,1-3H3
InChIKeyJZZAROUONDUPMK-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.26
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine

1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine (PubChem CID 133314695) has the molecular formula C17H20F2N6O and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
PubChem CID133314695
Molecular FormulaC17H20F2N6O
Molecular Weight362.38 g/mol
Exact Mass362.17
IUPAC Name1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
SMILESCOCc1cc(NCC(c2c(F)cccc2F)N(C)C)n2ncnc2n1
InChIInChI=1S/C17H20F2N6O/c1-24(2)14(16-12(18)5-4-6-13(16)19)8-20-15-7-11(9-26-3)23-17-21-10-22-25(15)17/h4-7,10,14,20H,8-9H2,1-3H3
InChIKeyJZZAROUONDUPMK-UHFFFAOYSA-N
XLogP2.26
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477232
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
N-[2-(2,4-difluorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133302351
N-[2-(3,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291787
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
N-[2-(2,4-difluorophenoxy)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133291686
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
N-[1-(2,3-dichlorophenyl)ethyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307818
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311799
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine (CID 133314695) is 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine is COCc1cc(NCC(c2c(F)cccc2F)N(C)C)n2ncnc2n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is JZZAROUONDUPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O/c1-24(2)14(16-12(18)5-4-6-13(16)19)8-20-15-7-11(9-26-3)23-17-21-10-22-25(15)17/h4-7,10,14,20H,8-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine?
1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 362.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 133314695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).