4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide

C18H21ClN4O2 — CID 159635887

IUPAC4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide
SMILESCCN(C(=O)n1nnc(-c2ccccc2Cl)cc1=O)C1CCCCC1
InChIInChI=1S/C18H21ClN4O2/c1-2-22(13-8-4-3-5-9-13)18(25)23-17(24)12-16(20-21-23)14-10-6-7-11-15(14)19/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeyMPSURDPSQXCEDK-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.58
Rot. Bonds3

About 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide

4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide (PubChem CID 159635887) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide
PubChem CID159635887
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide
SMILESCCN(C(=O)n1nnc(-c2ccccc2Cl)cc1=O)C1CCCCC1
InChIInChI=1S/C18H21ClN4O2/c1-2-22(13-8-4-3-5-9-13)18(25)23-17(24)12-16(20-21-23)14-10-6-7-11-15(14)19/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeyMPSURDPSQXCEDK-UHFFFAOYSA-N
XLogP3.58
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
CID 15219374
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CID 58502492
N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide
CID 19070649
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 47143139
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22747985
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
4-(2-chlorophenyl)-N-cyclohexyl-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 58502110
6-chloro-N-cyclohexyl-N-ethylpyridazine-3-carboxamide
CID 54927092
N-(3-aminopropyl)-N-cyclohexyl-4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carboxamide
CID 70668249
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide (CID 159635887) is 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide is CCN(C(=O)n1nnc(-c2ccccc2Cl)cc1=O)C1CCCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide?
The InChIKey is MPSURDPSQXCEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-2-22(13-8-4-3-5-9-13)18(25)23-17(24)12-16(20-21-23)14-10-6-7-11-15(14)19/h6-7,10-13H,2-5,8-9H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide?
4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide is sourced from PubChem (CID 159635887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).