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

C12H10FN5 — CID 1086759

IUPACN-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(F)c2)n2ncnc2n1
InChIInChI=1S/C12H10FN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3
InChIKeyGTSBAPJTXCZABL-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.32
Rot. Bonds2

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

N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1086759) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1086759
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC NameN-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(F)c2)n2ncnc2n1
InChIInChI=1S/C12H10FN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3
InChIKeyGTSBAPJTXCZABL-UHFFFAOYSA-N
XLogP2.32
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1086759) is N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cccc(F)c2)n2ncnc2n1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GTSBAPJTXCZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3.
What are the key properties of N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 243.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1086759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).