(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone

C8H9FN4O — CID 131026036

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCC=C(F)C1
InChIInChI=1S/C8H9FN4O/c9-6-2-1-3-13(5-6)8(14)7-4-10-12-11-7/h2,4H,1,3,5H2,(H,10,11,12)
InChIKeyVFHVXFBATPZHMO-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.50
Rot. Bonds1

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 131026036) has the molecular formula C8H9FN4O and a molecular weight of 196.19 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID131026036
Molecular FormulaC8H9FN4O
Molecular Weight196.19 g/mol
Exact Mass196.08
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCC=C(F)C1
InChIInChI=1S/C8H9FN4O/c9-6-2-1-3-13(5-6)8(14)7-4-10-12-11-7/h2,4H,1,3,5H2,(H,10,11,12)
InChIKeyVFHVXFBATPZHMO-UHFFFAOYSA-N
XLogP0.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78970338
N-methyl-N-(3,3,3-trifluoropropyl)-2H-triazole-4-carboxamide
CID 78970370
N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78970666
N-butyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78983200
N-propyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78984903
N-ethyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78988551
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78988652
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 80497765
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 80497766

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone (CID 131026036) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is VFHVXFBATPZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c9-6-2-1-3-13(5-6)8(14)7-4-10-12-11-7/h2,4H,1,3,5H2,(H,10,11,12).
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 196.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 131026036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).