6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

C13H16F2N6 — CID 177342533

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cnc(-c2ccc(N)nc2N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N6/c1-20-8-17-11(19-20)9-2-3-10(16)18-12(9)21-6-4-13(14,15)5-7-21/h2-3,8H,4-7H2,1H3,(H2,16,18)
InChIKeySBTUWWBUKMSYOH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.69
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 177342533) has the molecular formula C13H16F2N6 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID177342533
Molecular FormulaC13H16F2N6
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cnc(-c2ccc(N)nc2N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N6/c1-20-8-17-11(19-20)9-2-3-10(16)18-12(9)21-6-4-13(14,15)5-7-21/h2-3,8H,4-7H2,1H3,(H2,16,18)
InChIKeySBTUWWBUKMSYOH-UHFFFAOYSA-N
XLogP1.69
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine with MolForge

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Related Compounds

5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 70671706
5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
CID 118468930
1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine
CID 170331623
4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine
CID 175988491
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
CID 167713490
6-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-amine
CID 177168205
8-(4,4-difluoropiperidin-1-yl)quinolin-6-amine
CID 170328485
6-tert-butyl-5-chloro-2-(4,4-difluoroazepan-1-yl)pyridin-3-amine
CID 169249091
(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 177342533) is 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is Cn1cnc(-c2ccc(N)nc2N2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is SBTUWWBUKMSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6/c1-20-8-17-11(19-20)9-2-3-10(16)18-12(9)21-6-4-13(14,15)5-7-21/h2-3,8H,4-7H2,1H3,(H2,16,18).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 294.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 177342533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).