2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

C15H17N3O — CID 107047174

IUPAC2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCn1cc(CC(=O)C2CCc3ccccc3C2)nn1
InChIInChI=1S/C15H17N3O/c1-18-10-14(16-17-18)9-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3
InChIKeyMXUIVFFWGBYHRC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.73
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 107047174) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID107047174
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCn1cc(CC(=O)C2CCc3ccccc3C2)nn1
InChIInChI=1S/C15H17N3O/c1-18-10-14(16-17-18)9-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3
InChIKeyMXUIVFFWGBYHRC-UHFFFAOYSA-N
XLogP1.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 107047174) is 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is Cn1cc(CC(=O)C2CCc3ccccc3C2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is MXUIVFFWGBYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-10-14(16-17-18)9-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 107047174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).