5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H11ClFN5 — CID 103076539

IUPAC5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)c1ccccc1F
InChIInChI=1S/C13H11ClFN5/c1-8-11(14)18-13-16-7-17-20(13)12(8)19(2)10-6-4-3-5-9(10)15/h3-7H,1-2H3
InChIKeyARJAPGUPTIFHCF-UHFFFAOYSA-N
MW291.72 g/mol
LogP2.99
Rot. Bonds2

About 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076539) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076539
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC Name5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)c1ccccc1F
InChIInChI=1S/C13H11ClFN5/c1-8-11(14)18-13-16-7-17-20(13)12(8)19(2)10-6-4-3-5-9(10)15/h3-7H,1-2H3
InChIKeyARJAPGUPTIFHCF-UHFFFAOYSA-N
XLogP2.99
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076318
5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076152
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 63728003
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
CID 103076772
5-chloro-N-(2,3-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076304
5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15540288
5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107169190
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21104349
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346
N,5,6-trimethyl-N-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133423320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076539) is 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1N(C)c1ccccc1F.
What is the InChIKey of 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ARJAPGUPTIFHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-8-11(14)18-13-16-7-17-20(13)12(8)19(2)10-6-4-3-5-9(10)15/h3-7H,1-2H3.
What are the key properties of 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.72 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).