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

C10H16F2N4O2 — CID 145336301

IUPAC(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol
SMILESCO.Cc1nc(C(=O)N2CCCC(F)(F)C2)n[nH]1
InChIInChI=1S/C9H12F2N4O.CH4O/c1-6-12-7(14-13-6)8(16)15-4-2-3-9(10,11)5-15;1-2/h2-5H2,1H3,(H,12,13,14);2H,1H3
InChIKeyUAAAKYPBKDKMKH-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.59
Rot. Bonds1

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

(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol (PubChem CID 145336301) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol
PubChem CID145336301
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol
SMILESCO.Cc1nc(C(=O)N2CCCC(F)(F)C2)n[nH]1
InChIInChI=1S/C9H12F2N4O.CH4O/c1-6-12-7(14-13-6)8(16)15-4-2-3-9(10,11)5-15;1-2/h2-5H2,1H3,(H,12,13,14);2H,1H3
InChIKeyUAAAKYPBKDKMKH-UHFFFAOYSA-N
XLogP0.59
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129256175
[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129256182
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129260774
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129260946
[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129268429
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129268432
[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129270614
[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 139353801
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;ethane
CID 145336309
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62794700

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol (CID 145336301) is (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol is CO.Cc1nc(C(=O)N2CCCC(F)(F)C2)n[nH]1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol?
The InChIKey is UAAAKYPBKDKMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O.CH4O/c1-6-12-7(14-13-6)8(16)15-4-2-3-9(10,11)5-15;1-2/h2-5H2,1H3,(H,12,13,14);2H,1H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol?
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol has a molecular weight of 262.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;methanol is sourced from PubChem (CID 145336301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).