(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C8H10F2N4O — CID 145336263

IUPAC(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC(F)(F)C1
InChIInChI=1S/C8H10F2N4O/c9-8(10)2-1-3-14(4-8)7(15)6-11-5-12-13-6/h5H,1-4H2,(H,11,12,13)
InChIKeyYCPMJRGGNHOKOH-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.68
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 145336263) has the molecular formula C8H10F2N4O and a molecular weight of 216.19 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID145336263
Molecular FormulaC8H10F2N4O
Molecular Weight216.19 g/mol
Exact Mass216.08
IUPAC Name(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC(F)(F)C1
InChIInChI=1S/C8H10F2N4O/c9-8(10)2-1-3-14(4-8)7(15)6-11-5-12-13-6/h5H,1-4H2,(H,11,12,13)
InChIKeyYCPMJRGGNHOKOH-UHFFFAOYSA-N
XLogP0.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
1-[4-(1-piperidinyl)butanoyl]-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 72873031
1-(4H-1,2,4-triazol-3-ylmethyl)-4-(4,4,4-trifluorobutanoyl)piperazine
CID 86286750
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129256189
[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129256194
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129260771
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129260774
[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129260882
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129261091
[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129270614
[(4S)-4-ethoxy-3,3-difluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129270831

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 145336263) is (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is YCPMJRGGNHOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O/c9-8(10)2-1-3-14(4-8)7(15)6-11-5-12-13-6/h5H,1-4H2,(H,11,12,13).
What are the key properties of (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 216.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 145336263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).