5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12ClN5O — CID 103076126

IUPAC5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2c(C)c(Cl)nc3ncnn23)c1
InChIInChI=1S/C13H12ClN5O/c1-8-11(14)18-13-15-7-16-19(13)12(8)17-9-4-3-5-10(6-9)20-2/h3-7,17H,1-2H3
InChIKeyNVLYGBQJGFMKRF-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.84
Rot. Bonds3

About 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076126) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076126
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2c(C)c(Cl)nc3ncnn23)c1
InChIInChI=1S/C13H12ClN5O/c1-8-11(14)18-13-15-7-16-19(13)12(8)17-9-4-3-5-10(6-9)20-2/h3-7,17H,1-2H3
InChIKeyNVLYGBQJGFMKRF-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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Related Compounds

5-chloro-6-methyl-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076075
5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076760
N-(2-bromo-3-methylphenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076829
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
N-(4-bromo-2-fluorophenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076083
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
N-(3,5-dimethoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 44753836
methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 103076311
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
5-chloro-N-[(4-ethylphenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106900563
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076126) is 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2c(C)c(Cl)nc3ncnn23)c1.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NVLYGBQJGFMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8-11(14)18-13-15-7-16-19(13)12(8)17-9-4-3-5-10(6-9)20-2/h3-7,17H,1-2H3.
What are the key properties of 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3-methoxyphenyl)-6-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 5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).