(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone

C13H21N3O — CID 114685710

IUPAC(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1CCC(C)CC1
InChIInChI=1S/C13H21N3O/c1-3-8-16-12(9-14-15-16)13(17)11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyZMBUYZKVCQGJDV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds4

About (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone

(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone (PubChem CID 114685710) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
PubChem CID114685710
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1CCC(C)CC1
InChIInChI=1S/C13H21N3O/c1-3-8-16-12(9-14-15-16)13(17)11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyZMBUYZKVCQGJDV-UHFFFAOYSA-N
XLogP2.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 114691988
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
CID 114213063
(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 105104856
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
CID 114686036
cyclobutyl-(3-methyltriazol-4-yl)methanone
CID 114685839
1-(3-propyltriazol-4-yl)octan-1-one
CID 115802389
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114686277
(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 105129518
(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802433

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone (CID 114685710) is (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1CCC(C)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is ZMBUYZKVCQGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-8-16-12(9-14-15-16)13(17)11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone?
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 114685710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).