N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide

C22H28N4O3 — CID 11509481

IUPACN-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1(n2[nH]c(=O)nc(-c3ccccc3)c2=O)CCCCC1
InChIInChI=1S/C22H28N4O3/c27-19-18(16-10-4-1-5-11-16)24-21(29)25-26(19)22(14-8-3-9-15-22)20(28)23-17-12-6-2-7-13-17/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H,23,28)(H,25,29)
InChIKeyMMIGXTURTAUIRW-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.71
Rot. Bonds4

About N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide

N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide (PubChem CID 11509481) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide
PubChem CID11509481
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1(n2[nH]c(=O)nc(-c3ccccc3)c2=O)CCCCC1
InChIInChI=1S/C22H28N4O3/c27-19-18(16-10-4-1-5-11-16)24-21(29)25-26(19)22(14-8-3-9-15-22)20(28)23-17-12-6-2-7-13-17/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H,23,28)(H,25,29)
InChIKeyMMIGXTURTAUIRW-UHFFFAOYSA-N
XLogP2.71
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-6-oxo-3,4-diphenylpyridazin-1-yl]cyclopentane-1-carboxamide
CID 12027398
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CID 43822320
N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide
CID 15090685
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131942557
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808
N-cyclohexyl-1-piperidin-1-ylcyclopropane-1-carboxamide
CID 69234976
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
N-cyclohexyl-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361109
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide (CID 11509481) is N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide is O=C(NC1CCCCC1)C1(n2[nH]c(=O)nc(-c3ccccc3)c2=O)CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is MMIGXTURTAUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-19-18(16-10-4-1-5-11-16)24-21(29)25-26(19)22(14-8-3-9-15-22)20(28)23-17-12-6-2-7-13-17/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H,23,28)(H,25,29).
What are the key properties of N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide?
N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3,6-dioxo-5-phenyl-2H-1,2,4-triazin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11509481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).