2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile

C21H20N4 — CID 68602971

IUPAC2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)[C@H]1CC[C@@H](n2cncn2)C1
InChIInChI=1S/C21H20N4/c22-14-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-12-20(13-19)25-16-23-15-24-25/h1-10,15-16,19-20H,11-13H2/t19-,20+/m0/s1
InChIKeyGUAVXTIRTVMCHN-VQTJNVASSA-N
MW328.42 g/mol
LogP4.13
Rot. Bonds4

About 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile

2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile (PubChem CID 68602971) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile
PubChem CID68602971
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)[C@H]1CC[C@@H](n2cncn2)C1
InChIInChI=1S/C21H20N4/c22-14-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-12-20(13-19)25-16-23-15-24-25/h1-10,15-16,19-20H,11-13H2/t19-,20+/m0/s1
InChIKeyGUAVXTIRTVMCHN-VQTJNVASSA-N
XLogP4.13
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile
CID 68601418
2-[(1S,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile
CID 68602358
2-(3-hydroxycyclopentyl)-2,2-diphenylacetonitrile
CID 70880451
2-[(1R,3S)-3-hydroxycyclopentyl]-2,2-diphenylacetonitrile
CID 68601434
2-[3-[2-methyl-3-(2-oxopropyl)imidazol-3-ium-1-yl]cyclopentyl]-2,2-diphenylacetonitrile bromide
CID 87512110
2,2-diphenyl-2-piperidin-4-ylacetonitrile
CID 21271128
1-(2-chlorophenyl)-4-[3-(1,2,4-triazol-1-yl)cyclopentyl]piperazine
CID 142700521
2-[3-[benzyl(methyl)amino]cyclohexyl]-2,2-diphenylacetonitrile
CID 70302737
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile
CID 56665993
2,2-diphenyl-2-[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]acetonitrile
CID 70303221
2-(1-benzoylpyrrolidin-3-yl)-2,2-diphenylacetonitrile
CID 68630760
(1R,5S)-3-(1,2,4-triazol-1-yl)-6-azabicyclo[3.1.1]heptane
CID 176956591

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile?
The IUPAC name of 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile (CID 68602971) is 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile.
What is the SMILES notation for 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile?
The canonical SMILES for 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile is N#CC(c1ccccc1)(c1ccccc1)[C@H]1CC[C@@H](n2cncn2)C1.
What is the InChIKey of 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile?
The InChIKey is GUAVXTIRTVMCHN-VQTJNVASSA-N. The full InChI is InChI=1S/C21H20N4/c22-14-21(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-12-20(13-19)25-16-23-15-24-25/h1-10,15-16,19-20H,11-13H2/t19-,20+/m0/s1.
What are the key properties of 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile?
2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile has a molecular weight of 328.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-[(1S,3R)-3-(1,2,4-triazol-1-yl)cyclopentyl]acetonitrile is sourced from PubChem (CID 68602971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).