N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H13F2N5 — CID 3227278

IUPACN-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2ccc(F)cc2F)n2ncnc2n1
InChIInChI=1S/C14H13F2N5/c1-2-3-10-7-13(21-14(19-10)17-8-18-21)20-12-5-4-9(15)6-11(12)16/h4-8,20H,2-3H2,1H3
InChIKeyWOKWLDXLOXGWPB-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.10
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227278) has the molecular formula C14H13F2N5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227278
Molecular FormulaC14H13F2N5
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2ccc(F)cc2F)n2ncnc2n1
InChIInChI=1S/C14H13F2N5/c1-2-3-10-7-13(21-14(19-10)17-8-18-21)20-12-5-4-9(15)6-11(12)16/h4-8,20H,2-3H2,1H3
InChIKeyWOKWLDXLOXGWPB-UHFFFAOYSA-N
XLogP3.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3227278) is N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(Nc2ccc(F)cc2F)n2ncnc2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WOKWLDXLOXGWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5/c1-2-3-10-7-13(21-14(19-10)17-8-18-21)20-12-5-4-9(15)6-11(12)16/h4-8,20H,2-3H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).