N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

C14H15F2N5 — CID 112941993

IUPACN-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESFc1ccc(Nc2nncc(N3CCCCC3)n2)cc1F
InChIInChI=1S/C14H15F2N5/c15-11-5-4-10(8-12(11)16)18-14-19-13(9-17-20-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2,(H,18,19,20)
InChIKeyGPBPXMUZRNBDKT-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.88
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941993) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941993
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESFc1ccc(Nc2nncc(N3CCCCC3)n2)cc1F
InChIInChI=1S/C14H15F2N5/c15-11-5-4-10(8-12(11)16)18-14-19-13(9-17-20-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2,(H,18,19,20)
InChIKeyGPBPXMUZRNBDKT-UHFFFAOYSA-N
XLogP2.88
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
N-(3,4-difluorophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957453
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
1-[4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]phenyl]ethanone
CID 112941941
4-[3-(3-chloro-4-fluoroanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946583
methyl 4-[(5-piperidin-1-yl-1,2,4-triazin-3-yl)amino]benzoate
CID 112941946
N-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957601
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941993) is N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is Fc1ccc(Nc2nncc(N3CCCCC3)n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is GPBPXMUZRNBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c15-11-5-4-10(8-12(11)16)18-14-19-13(9-17-20-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2,(H,18,19,20).
What are the key properties of N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 291.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).