2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one

C11H17N3O — CID 107044522

IUPAC2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
SMILESCn1cc(CC2CCCCCC2=O)nn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(12-13-14)7-9-5-3-2-4-6-11(9)15/h8-9H,2-7H2,1H3
InChIKeyIJUHZHLIHISDTC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.51
Rot. Bonds2

About 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one

2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one (PubChem CID 107044522) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
PubChem CID107044522
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
SMILESCn1cc(CC2CCCCCC2=O)nn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(12-13-14)7-9-5-3-2-4-6-11(9)15/h8-9H,2-7H2,1H3
InChIKeyIJUHZHLIHISDTC-UHFFFAOYSA-N
XLogP1.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
CID 107044513
2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 107044535
2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
CID 83484270
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one
CID 79761423
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
4-cyclohexyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107063124
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173
2-[(2-methyl-1,3-thiazol-5-yl)methyl]cycloheptan-1-one
CID 79416773

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one (CID 107044522) is 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one is Cn1cc(CC2CCCCCC2=O)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one?
The InChIKey is IJUHZHLIHISDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-10(12-13-14)7-9-5-3-2-4-6-11(9)15/h8-9H,2-7H2,1H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one?
2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.51, 2 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)methyl]cycloheptan-1-one is sourced from PubChem (CID 107044522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).