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

C13H11ClFN5 — CID 103076760

IUPAC5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(F)cc(Nc2c(C)c(Cl)nc3ncnn23)c1
InChIInChI=1S/C13H11ClFN5/c1-7-3-9(15)5-10(4-7)18-12-8(2)11(14)19-13-16-6-17-20(12)13/h3-6,18H,1-2H3
InChIKeySQQHAFWQAKILES-UHFFFAOYSA-N
MW291.72 g/mol
LogP3.28
Rot. Bonds2

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

5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076760) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076760
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC Name5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(F)cc(Nc2c(C)c(Cl)nc3ncnn23)c1
InChIInChI=1S/C13H11ClFN5/c1-7-3-9(15)5-10(4-7)18-12-8(2)11(14)19-13-16-6-17-20(12)13/h3-6,18H,1-2H3
InChIKeySQQHAFWQAKILES-UHFFFAOYSA-N
XLogP3.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
N-(5-bromo-2,4-difluorophenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076997
N-(4-bromo-2-fluorophenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076083
5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076126
5-chloro-6-methyl-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076075
5-chloro-N-(2,3-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076304
N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53017028
5-chloro-6-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076067
N-(2-bromo-3-methylphenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076829
5-chloro-N-[(2,5-difluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076653
5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429581
5-chloro-N-(2-deuterio-3-methylbutan-2-yl)-6-(2,6-difluoro-4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 165025635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076760) is 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(F)cc(Nc2c(C)c(Cl)nc3ncnn23)c1.
What is the InChIKey of 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SQQHAFWQAKILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-7-3-9(15)5-10(4-7)18-12-8(2)11(14)19-13-16-6-17-20(12)13/h3-6,18H,1-2H3.
What are the key properties of 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).