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

C11H18N4O — CID 107061763

IUPAC1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(N)CCCCC2)nn1
InChIInChI=1S/C11H18N4O/c1-15-8-9(13-14-15)7-10(16)11(12)5-3-2-4-6-11/h8H,2-7,12H2,1H3
InChIKeyKWRIHFVQJNWMLD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds3

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

1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107061763) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107061763
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(N)CCCCC2)nn1
InChIInChI=1S/C11H18N4O/c1-15-8-9(13-14-15)7-10(16)11(12)5-3-2-4-6-11/h8H,2-7,12H2,1H3
InChIKeyKWRIHFVQJNWMLD-UHFFFAOYSA-N
XLogP0.59
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
CID 107047017
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
CID 107048234
[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
CID 107057461
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone (CID 107061763) is 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)C2(N)CCCCC2)nn1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is KWRIHFVQJNWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-8-9(13-14-15)7-10(16)11(12)5-3-2-4-6-11/h8H,2-7,12H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone?
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107061763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).