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

C9H13N3O — CID 107044513

IUPAC2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
SMILESCn1cc(CC2CCCC2=O)nn1
InChIInChI=1S/C9H13N3O/c1-12-6-8(10-11-12)5-7-3-2-4-9(7)13/h6-7H,2-5H2,1H3
InChIKeyBFLIMIHOTRZLCE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.73
Rot. Bonds2

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

2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one (PubChem CID 107044513) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
PubChem CID107044513
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
SMILESCn1cc(CC2CCCC2=O)nn1
InChIInChI=1S/C9H13N3O/c1-12-6-8(10-11-12)5-7-3-2-4-9(7)13/h6-7H,2-5H2,1H3
InChIKeyBFLIMIHOTRZLCE-UHFFFAOYSA-N
XLogP0.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
CID 107044522
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-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
3-methyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054729
2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
CID 83484270
1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
CID 107063090
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one
CID 79750868
2-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-one
CID 79761423

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one (CID 107044513) is 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one is Cn1cc(CC2CCCC2=O)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one?
The InChIKey is BFLIMIHOTRZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-6-8(10-11-12)5-7-3-2-4-9(7)13/h6-7H,2-5H2,1H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one?
2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.73, 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]cyclopentan-1-one is sourced from PubChem (CID 107044513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).