1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole

C16H21N3O — CID 118473690

IUPAC1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole
SMILESCC(C)OC1(c2ccccc2)CCCC1n1cncn1
InChIInChI=1S/C16H21N3O/c1-13(2)20-16(14-7-4-3-5-8-14)10-6-9-15(16)19-12-17-11-18-19/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3
InChIKeyGCGLPHBVGZWQJN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole

1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole (PubChem CID 118473690) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole
PubChem CID118473690
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole
SMILESCC(C)OC1(c2ccccc2)CCCC1n1cncn1
InChIInChI=1S/C16H21N3O/c1-13(2)20-16(14-7-4-3-5-8-14)10-6-9-15(16)19-12-17-11-18-19/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3
InChIKeyGCGLPHBVGZWQJN-UHFFFAOYSA-N
XLogP3.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
CID 118473657
1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
CID 118473703
1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
CID 118473658
1-(2-chloro-2-phenyloxolan-3-yl)-1,2,4-triazole
CID 118473666
1-(2-phenyl-2-prop-2-enoxyoxepan-3-yl)-1,2,4-triazole
CID 118473731
1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
CID 118473735
(1-phenylcyclopropyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761368
(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129429411
[1-methoxy-2-(trifluoromethyl)cyclopentyl]benzene
CID 174942326
2-(2-propan-2-yloxyphenyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736686
1-[[2-phenyl-4-(propan-2-yloxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CID 129132218
ethyl 2-phenyl-2-propan-2-yloxycyclopropane-1-carboxylate
CID 568159

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole?
The IUPAC name of 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole (CID 118473690) is 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole is CC(C)OC1(c2ccccc2)CCCC1n1cncn1.
What is the InChIKey of 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole?
The InChIKey is GCGLPHBVGZWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(2)20-16(14-7-4-3-5-8-14)10-6-9-15(16)19-12-17-11-18-19/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3.
What are the key properties of 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole?
1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole has a molecular weight of 271.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole is sourced from PubChem (CID 118473690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).