1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C13H15F2N5 — CID 102794171

IUPAC1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(-c3cccc(F)c3F)n2)C1
InChIInChI=1S/C13H15F2N5/c14-10-5-1-4-9(11(10)15)12-17-13(19-18-12)20-6-2-3-8(16)7-20/h1,4-5,8H,2-3,6-7,16H2,(H,17,18,19)
InChIKeyHPWQHHXVJZCULZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.68
Rot. Bonds2

About 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794171) has the molecular formula C13H15F2N5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794171
Molecular FormulaC13H15F2N5
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(-c3cccc(F)c3F)n2)C1
InChIInChI=1S/C13H15F2N5/c14-10-5-1-4-9(11(10)15)12-17-13(19-18-12)20-6-2-3-8(16)7-20/h1,4-5,8H,2-3,6-7,16H2,(H,17,18,19)
InChIKeyHPWQHHXVJZCULZ-UHFFFAOYSA-N
XLogP1.68
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407
(3S)-1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797869
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794246
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793968
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(5-methyl-1,2-oxazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794153
1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
1-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793807
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794186

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794171) is 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(-c3cccc(F)c3F)n2)C1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is HPWQHHXVJZCULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5/c14-10-5-1-4-9(11(10)15)12-17-13(19-18-12)20-6-2-3-8(16)7-20/h1,4-5,8H,2-3,6-7,16H2,(H,17,18,19).
What are the key properties of 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 279.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).