1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole

C16H27N3O — CID 123822821

IUPAC1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC2CCC(CC3CCCC3)C2)nn1
InChIInChI=1S/C16H27N3O/c1-20-12-16-11-19(18-17-16)10-15-7-6-14(9-15)8-13-4-2-3-5-13/h11,13-15H,2-10,12H2,1H3
InChIKeyOKHVKIVSBCXLSP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.42
Rot. Bonds6

About 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole

1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole (PubChem CID 123822821) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
PubChem CID123822821
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
SMILESCOCc1cn(CC2CCC(CC3CCCC3)C2)nn1
InChIInChI=1S/C16H27N3O/c1-20-12-16-11-19(18-17-16)10-15-7-6-14(9-15)8-13-4-2-3-5-13/h11,13-15H,2-10,12H2,1H3
InChIKeyOKHVKIVSBCXLSP-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
CID 162793126
4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 29001075
4-(2-chloroethyl)-1-(cyclobutylmethyl)triazole
CID 65461453
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455
4-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 31126037
2-[[1-(cyclopropylmethyl)triazol-4-yl]methoxy]phenol
CID 126835797
[(3R,4S,6R)-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octan-3-yl]-pyrrolidin-1-ylmethanone
CID 11943160
N-(3-cyanophenyl)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 45203650
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide
CID 75529382

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole?
The IUPAC name of 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole (CID 123822821) is 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole?
The canonical SMILES for 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole is COCc1cn(CC2CCC(CC3CCCC3)C2)nn1.
What is the InChIKey of 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole?
The InChIKey is OKHVKIVSBCXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-20-12-16-11-19(18-17-16)10-15-7-6-14(9-15)8-13-4-2-3-5-13/h11,13-15H,2-10,12H2,1H3.
What are the key properties of 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole?
1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole has a molecular weight of 277.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole is sourced from PubChem (CID 123822821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).