4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one

C16H25N5O2 — CID 74237805

IUPAC4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one
SMILESO=C1NCC(c2nc(C3CCOCC3)nn2C2CCCCC2)N1
InChIInChI=1S/C16H25N5O2/c22-16-17-10-13(18-16)15-19-14(11-6-8-23-9-7-11)20-21(15)12-4-2-1-3-5-12/h11-13H,1-10H2,(H2,17,18,22)
InChIKeyJATOJKLOSHILGW-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.03
Rot. Bonds3

About 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one

4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one (PubChem CID 74237805) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one
PubChem CID74237805
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one
SMILESO=C1NCC(c2nc(C3CCOCC3)nn2C2CCCCC2)N1
InChIInChI=1S/C16H25N5O2/c22-16-17-10-13(18-16)15-19-14(11-6-8-23-9-7-11)20-21(15)12-4-2-1-3-5-12/h11-13H,1-10H2,(H2,17,18,22)
InChIKeyJATOJKLOSHILGW-UHFFFAOYSA-N
XLogP2.03
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

(1S)-1-[1-(cyclohexylmethyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]-N-methylethanamine
CID 74235736
(3S,5S)-5-[1-isopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]-1-methylpyrrolidin-3-amine
CID 74238346
N-{[1-cyclohexyl-3-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-5-yl]methyl}urea
CID 74240676
1-[(2-Tert-butyloxolan-3-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71923177
N-{rel-(3R,4S)-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-propyl-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72873340
N-{rel-(3R,4S)-1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]-4-propyl-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72911283
1-(cyclohexylmethyl)-5-pyrrolidin-3-yl-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74235626
(2S)-2-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]pyrrolidine-1-carboxamide
CID 74236663
(1S)-N-methyl-1-[1-propyl-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 74245294
1-[[(2S,3S)-2-tert-butyloxolan-3-yl]methyl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97074623
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97074625
1-(cyclohexylmethyl)-3-(oxan-4-yl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 97894178

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one (CID 74237805) is 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one is O=C1NCC(c2nc(C3CCOCC3)nn2C2CCCCC2)N1.
What is the InChIKey of 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
The InChIKey is JATOJKLOSHILGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-16-17-10-13(18-16)15-19-14(11-6-8-23-9-7-11)20-21(15)12-4-2-1-3-5-12/h11-13H,1-10H2,(H2,17,18,22).
What are the key properties of 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one?
4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 74237805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).