3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone

C11H14N4O — CID 166259597

IUPAC3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone
SMILESO=C(N1CC=CCC1)C1(n2ccnn2)CC1
InChIInChI=1S/C11H14N4O/c16-10(14-7-2-1-3-8-14)11(4-5-11)15-9-6-12-13-15/h1-2,6,9H,3-5,7-8H2
InChIKeyTYPGWMURJVCADP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds2

About 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone

3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone (PubChem CID 166259597) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone
PubChem CID166259597
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone
SMILESO=C(N1CC=CCC1)C1(n2ccnn2)CC1
InChIInChI=1S/C11H14N4O/c16-10(14-7-2-1-3-8-14)11(4-5-11)15-9-6-12-13-15/h1-2,6,9H,3-5,7-8H2
InChIKeyTYPGWMURJVCADP-UHFFFAOYSA-N
XLogP0.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4,4-dimethyl-1-[1-(triazol-1-yl)cyclopropanecarbonyl]pyrrolidin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155963268
3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
CID 114409116
[4,4-bis(hydroxymethyl)-2-methylpyrrolidin-1-yl]-[1-(triazol-1-yl)cyclopropyl]methanone
CID 154855509
2-bromo-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 114408452
8-(triazol-1-yl)-5-oxaspiro[3.5]nonane-8-carboxylic acid
CID 139017096
2-cyclobutyl-1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 130991866
(1S,5R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 10858788
(2R)-2-chloro-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 93494142
hydroxymethyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 154349035
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(dimethylamino)ethanone
CID 91175888
(E)-1-(3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 115970143
carboxy(triazol-1-yl)carbamic acid
CID 67445650

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone (CID 166259597) is 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone is O=C(N1CC=CCC1)C1(n2ccnn2)CC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone?
The InChIKey is TYPGWMURJVCADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-10(14-7-2-1-3-8-14)11(4-5-11)15-9-6-12-13-15/h1-2,6,9H,3-5,7-8H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone has a molecular weight of 218.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[1-(triazol-1-yl)cyclopropyl]methanone is sourced from PubChem (CID 166259597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).