N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H12FN5 — CID 5307602

IUPACN-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1
InChIInChI=1S/C13H12FN5/c1-8-6-12(17-11-5-3-4-10(14)7-11)19-13(15-8)16-9(2)18-19/h3-7,17H,1-2H3
InChIKeyRLDKJECODUEETR-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.62
Rot. Bonds2

About N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5307602) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5307602
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC NameN-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1
InChIInChI=1S/C13H12FN5/c1-8-6-12(17-11-5-3-4-10(14)7-11)19-13(15-8)16-9(2)18-19/h3-7,17H,1-2H3
InChIKeyRLDKJECODUEETR-UHFFFAOYSA-N
XLogP2.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dsm-265
CID 51347395
Cgp 57380
CID 11644425
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
Dsm-74
CID 25263414
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517728
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5307602) is N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1.
What is the InChIKey of N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RLDKJECODUEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-8-6-12(17-11-5-3-4-10(14)7-11)19-13(15-8)16-9(2)18-19/h3-7,17H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 257.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5307602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).