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

C14H13F2N5 — CID 53017028

IUPACN-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2ncnn2c1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2N5/c1-3-12-8(2)19-14-17-7-18-21(14)13(12)20-11-5-9(15)4-10(16)6-11/h4-7,20H,3H2,1-2H3
InChIKeyFIJMNBUOMXWISG-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.02
Rot. Bonds3

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

N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53017028) has the molecular formula C14H13F2N5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53017028
Molecular FormulaC14H13F2N5
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2ncnn2c1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2N5/c1-3-12-8(2)19-14-17-7-18-21(14)13(12)20-11-5-9(15)4-10(16)6-11/h4-7,20H,3H2,1-2H3
InChIKeyFIJMNBUOMXWISG-UHFFFAOYSA-N
XLogP3.02
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076760
5-methyl-N-phenyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433942
N-cyclohexyl-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53017035
1-[4-[2-chloro-4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]-2-methylpropan-1-one
CID 22433808
5,6-dimethyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429581
N-(4-methoxyphenyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 28866754
6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 6501344
7-hexan-3-yl-5-methyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 57490893
7-chloro-6-(2-chloropropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12671298
(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
CID 139369499
1-(3,4-dimethylphenyl)-3-[4-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]urea
CID 46380096

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53017028) is N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2ncnn2c1Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FIJMNBUOMXWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5/c1-3-12-8(2)19-14-17-7-18-21(14)13(12)20-11-5-9(15)4-10(16)6-11/h4-7,20H,3H2,1-2H3.
What are the key properties of N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53017028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).