N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12ClN5O — CID 703139

IUPACN-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc2ncnn12
InChIInChI=1S/C13H12ClN5O/c1-8-5-12(19-13(17-8)15-7-16-19)18-10-6-9(14)3-4-11(10)20-2/h3-7,18H,1-2H3
InChIKeyDHKYAGJEEQDKEK-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.84
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 703139) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID703139
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc2ncnn12
InChIInChI=1S/C13H12ClN5O/c1-8-5-12(19-13(17-8)15-7-16-19)18-10-6-9(14)3-4-11(10)20-2/h3-7,18H,1-2H3
InChIKeyDHKYAGJEEQDKEK-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-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 703139) is N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(Cl)cc1Nc1cc(C)nc2ncnn12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DHKYAGJEEQDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8-5-12(19-13(17-8)15-7-16-19)18-10-6-9(14)3-4-11(10)20-2/h3-7,18H,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 703139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).