3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole

C25H29N3O2 — CID 155965879

IUPAC3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole
SMILESCOc1ccc([C@@H]2C[C@H]2c2nc(C3CCCCC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O2/c1-29-20-12-8-17(9-13-20)22-16-23(22)25-26-24(18-6-4-3-5-7-18)27-28(25)19-10-14-21(30-2)15-11-19/h8-15,18,22-23H,3-7,16H2,1-2H3/t22-,23+/m0/s1
InChIKeyXGRYWFSGNDKYOG-XZOQPEGZSA-N
MW403.53 g/mol
LogP5.60
Rot. Bonds6

About 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole

3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole (PubChem CID 155965879) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole
PubChem CID155965879
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole
SMILESCOc1ccc([C@@H]2C[C@H]2c2nc(C3CCCCC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O2/c1-29-20-12-8-17(9-13-20)22-16-23(22)25-26-24(18-6-4-3-5-7-18)27-28(25)19-10-14-21(30-2)15-11-19/h8-15,18,22-23H,3-7,16H2,1-2H3/t22-,23+/m0/s1
InChIKeyXGRYWFSGNDKYOG-XZOQPEGZSA-N
XLogP5.60
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3574521
1-cyclohexyl-3-(4-methoxyphenyl)-4-methylcyclopenta[d]pyridazine
CID 102523054
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 82196201
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
3-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 40684637
3-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 40684636
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
1-[2-[5-cyclopropyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]-3,5-dimethyl-1,2,4-triazole
CID 50970697
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-cyclopentyl-6-methoxynaphthalene
CID 67100251

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole (CID 155965879) is 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole is COc1ccc([C@@H]2C[C@H]2c2nc(C3CCCCC3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole?
The InChIKey is XGRYWFSGNDKYOG-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-29-20-12-8-17(9-13-20)22-16-23(22)25-26-24(18-6-4-3-5-7-18)27-28(25)19-10-14-21(30-2)15-11-19/h8-15,18,22-23H,3-7,16H2,1-2H3/t22-,23+/m0/s1.
What are the key properties of 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole?
3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole has a molecular weight of 403.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-methoxyphenyl)-5-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 155965879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).