(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone

C12H19N3O2 — CID 114686283

IUPAC(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone
SMILESCOC1(C(=O)c2cnnn2C)CCC(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-4-6-12(17-3,7-5-9)11(16)10-8-13-14-15(10)2/h8-9H,4-7H2,1-3H3
InChIKeyTXMWISONYMXTEO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds3

About (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone

(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone (PubChem CID 114686283) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone
PubChem CID114686283
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone
SMILESCOC1(C(=O)c2cnnn2C)CCC(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-4-6-12(17-3,7-5-9)11(16)10-8-13-14-15(10)2/h8-9H,4-7H2,1-3H3
InChIKeyTXMWISONYMXTEO-UHFFFAOYSA-N
XLogP1.59
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone (CID 114686283) is (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone is COC1(C(=O)c2cnnn2C)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is TXMWISONYMXTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-4-6-12(17-3,7-5-9)11(16)10-8-13-14-15(10)2/h8-9H,4-7H2,1-3H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone?
(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 114686283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).