1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole

C16H27N3O — CID 123527408

IUPAC1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC2CCC(C3CCCC3)CC2)nn1
InChIInChI=1S/C16H27N3O/c1-20-12-16-11-19(18-17-16)10-13-6-8-15(9-7-13)14-4-2-3-5-14/h11,13-15H,2-10,12H2,1H3
InChIKeyIDMFFESVPVBLML-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.42
Rot. Bonds5

About 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole

1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole (PubChem CID 123527408) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole
PubChem CID123527408
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC2CCC(C3CCCC3)CC2)nn1
InChIInChI=1S/C16H27N3O/c1-20-12-16-11-19(18-17-16)10-13-6-8-15(9-7-13)14-4-2-3-5-14/h11,13-15H,2-10,12H2,1H3
InChIKeyIDMFFESVPVBLML-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]ethoxymethyl]triazol-1-yl]ethanol
CID 137634574
(1R,4R)-1,7,7-trimethyl-N-[2-[4-[2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]ethoxymethyl]triazol-1-yl]ethyl]bicyclo[2.2.1]heptan-2-imine
CID 137646915
1-Cyclohexyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-YL]methyl}piperidine
CID 124038708
4-[2-(2-Methoxyethoxy)ethoxymethyl]-1-(2-octadecylhenicosyl)triazole
CID 118244302
4-[2-(2-Methoxyethoxy)ethoxymethyl]-1-(2-tetradecylhexadecyl)triazole
CID 118244370
1-[[3-(Cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
CID 123822821
1-(4-Methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
CID 130266010
4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole
CID 130273558
4-(Methoxymethyl)-1-(3-methylcyclohexyl)triazole
CID 130274147
[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanol
CID 130274480
1-(4-Methylpentyl)-4-(propan-2-yloxymethyl)triazole
CID 134215430
1-(5-Methylhexyl)-4-[[1-(5-methylhexyl)triazol-4-yl]methoxymethyl]triazole
CID 134598833

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole?
The IUPAC name of 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole (CID 123527408) is 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole?
The canonical SMILES for 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole is COCc1cn(CC2CCC(C3CCCC3)CC2)nn1.
What is the InChIKey of 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole?
The InChIKey is IDMFFESVPVBLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-20-12-16-11-19(18-17-16)10-13-6-8-15(9-7-13)14-4-2-3-5-14/h11,13-15H,2-10,12H2,1H3.
What are the key properties of 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole?
1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole has a molecular weight of 277.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole is sourced from PubChem (CID 123527408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).