N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12ClN5O — CID 51347999

IUPACN-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1
InChIInChI=1S/C13H12ClN5O/c1-8-6-11(16-10-5-3-4-9(14)7-10)19-12(15-8)17-13(18-19)20-2/h3-7,16H,1-2H3
InChIKeyYRLOKJUHNQLESD-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.84
Rot. Bonds3

About N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51347999) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID51347999
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC NameN-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1
InChIInChI=1S/C13H12ClN5O/c1-8-6-11(16-10-5-3-4-9(14)7-10)19-12(15-8)17-13(18-19)20-2/h3-7,16H,1-2H3
InChIKeyYRLOKJUHNQLESD-UHFFFAOYSA-N
XLogP2.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 51347999) is N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1.
What is the InChIKey of N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YRLOKJUHNQLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8-6-11(16-10-5-3-4-9(14)7-10)19-12(15-8)17-13(18-19)20-2/h3-7,16H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51347999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).