2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone

C14H15N3O — CID 107047017

IUPAC2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
SMILESCn1cc(CC(=O)C2(c3ccccc3)CC2)nn1
InChIInChI=1S/C14H15N3O/c1-17-10-12(15-16-17)9-13(18)14(7-8-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyYEGJLXORJHFRBD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.66
Rot. Bonds4

About 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone

2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone (PubChem CID 107047017) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
PubChem CID107047017
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
SMILESCn1cc(CC(=O)C2(c3ccccc3)CC2)nn1
InChIInChI=1S/C14H15N3O/c1-17-10-12(15-16-17)9-13(18)14(7-8-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyYEGJLXORJHFRBD-UHFFFAOYSA-N
XLogP1.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062760
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-(1-methylpyrazol-3-yl)-1-(4-phenyloxan-4-yl)ethanone
CID 82869926
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
4-amino-1-(1-methyltriazol-4-yl)-3-phenylbutan-2-one
CID 107061986
2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 65479105
1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
CID 107044966
2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone (CID 107047017) is 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone is Cn1cc(CC(=O)C2(c3ccccc3)CC2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone?
The InChIKey is YEGJLXORJHFRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-10-12(15-16-17)9-13(18)14(7-8-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone?
2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone has a molecular weight of 241.29 g/mol, XLogP of 1.66, 4 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-phenylcyclopropyl)ethanone is sourced from PubChem (CID 107047017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).