2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide

C17H25N5O2 — CID 110214253

IUPAC2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21
InChIInChI=1S/C17H25N5O2/c1-12-7-4-5-8-13(12)19-15(23)11-22-14-9-6-10-18-16(14)20(2)21(3)17(22)24/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,19,23)
InChIKeyMHEXFSXXQXBDND-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.00
Rot. Bonds3

About 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide

2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 110214253) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID110214253
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21
InChIInChI=1S/C17H25N5O2/c1-12-7-4-5-8-13(12)19-15(23)11-22-14-9-6-10-18-16(14)20(2)21(3)17(22)24/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,19,23)
InChIKeyMHEXFSXXQXBDND-UHFFFAOYSA-N
XLogP2.00
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide with MolForge

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-[(6R)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
CID 92583873
N-[(2S)-butan-2-yl]-2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)acetamide
CID 95833611
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 7894076
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 98466113
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11919445
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7365109
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide (CID 110214253) is 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN1C(=O)N(C)N(C)c2ncccc21.
What is the InChIKey of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is MHEXFSXXQXBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-7-4-5-8-13(12)19-15(23)11-22-14-9-6-10-18-16(14)20(2)21(3)17(22)24/h6,9-10,12-13H,4-5,7-8,11H2,1-3H3,(H,19,23).
What are the key properties of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide?
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 110214253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).