1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C23H27F2N9O — CID 122227572

IUPAC1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1cn(Cn2ncc(CC3CCCCC3)n2)nn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H27F2N9O/c24-18-6-7-21(22(25)9-18)23(35,13-33-15-26-14-28-33)10-20-12-32(31-29-20)16-34-27-11-19(30-34)8-17-4-2-1-3-5-17/h6-7,9,11-12,14-15,17,35H,1-5,8,10,13,16H2
InChIKeyMFYQMANFMDADGT-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.50
Rot. Bonds9

About 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 122227572) has the molecular formula C23H27F2N9O and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID122227572
Molecular FormulaC23H27F2N9O
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC Name1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1cn(Cn2ncc(CC3CCCCC3)n2)nn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H27F2N9O/c24-18-6-7-21(22(25)9-18)23(35,13-33-15-26-14-28-33)10-20-12-32(31-29-20)16-34-27-11-19(30-34)8-17-4-2-1-3-5-17/h6-7,9,11-12,14-15,17,35H,1-5,8,10,13,16H2
InChIKeyMFYQMANFMDADGT-UHFFFAOYSA-N
XLogP2.50
TPSA112.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70691806
1-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70695986
2-(2,4-difluorophenyl)-1-[4-[(4-methylphenoxy)methyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 78322012
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]triazol-4-yl]methyl]amino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46945667
2-amino-3-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]triazol-4-yl]propanoic acid
CID 146681612
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-[4-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 86296331
1-[[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]methyl-cyclopropylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46946459
2-(2,4-difluorophenyl)-1-[methyl-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 90667682
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
4-[[4-[[cyclopropyl-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]amino]methyl]triazol-1-yl]methyl]benzonitrile
CID 46946661
2-(2,4-difluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl-propan-2-ylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46174750

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 122227572) is 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cc1cn(Cn2ncc(CC3CCCCC3)n2)nn1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is MFYQMANFMDADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N9O/c24-18-6-7-21(22(25)9-18)23(35,13-33-15-26-14-28-33)10-20-12-32(31-29-20)16-34-27-11-19(30-34)8-17-4-2-1-3-5-17/h6-7,9,11-12,14-15,17,35H,1-5,8,10,13,16H2.
What are the key properties of 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 483.53 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 122227572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).