N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C16H22N4O2 — CID 22514376

IUPACN-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2ncn3cccc3c2=O)C1C
InChIInChI=1S/C16H22N4O2/c1-11-5-3-6-13(12(11)2)18-15(21)9-20-16(22)14-7-4-8-19(14)10-17-20/h4,7-8,10-13H,3,5-6,9H2,1-2H3,(H,18,21)
InChIKeyMAFJPOLKPJMVKY-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514376) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514376
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2ncn3cccc3c2=O)C1C
InChIInChI=1S/C16H22N4O2/c1-11-5-3-6-13(12(11)2)18-15(21)9-20-16(22)14-7-4-8-19(14)10-17-20/h4,7-8,10-13H,3,5-6,9H2,1-2H3,(H,18,21)
InChIKeyMAFJPOLKPJMVKY-UHFFFAOYSA-N
XLogP1.44
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 92703858
3-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 7041520
3-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2399947
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
N-(2,3-dimethylcyclohexyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833519
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 92668590
N-(2,3-dimethylcyclohexyl)-2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884973
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 129418396
N-[(1S,2S)-2-methylcyclohexyl]-2-(9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide
CID 95797919

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514376) is N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CC1CCCC(NC(=O)Cn2ncn3cccc3c2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is MAFJPOLKPJMVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-5-3-6-13(12(11)2)18-15(21)9-20-16(22)14-7-4-8-19(14)10-17-20/h4,7-8,10-13H,3,5-6,9H2,1-2H3,(H,18,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).