N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C15H20N4O2 — CID 92703858

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C15H20N4O2/c1-11-5-2-3-6-12(11)17-14(20)9-19-15(21)13-7-4-8-18(13)10-16-19/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyOQAOWTFYDQVZGR-VXGBXAGGSA-N
MW288.35 g/mol
LogP1.19
Rot. Bonds3

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

N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 92703858) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID92703858
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C15H20N4O2/c1-11-5-2-3-6-12(11)17-14(20)9-19-15(21)13-7-4-8-18(13)10-16-19/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyOQAOWTFYDQVZGR-VXGBXAGGSA-N
XLogP1.19
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514376
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
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365892
N-(2-methylcyclohexyl)-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892100
N-(2-methylcyclohexyl)-2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20893453
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide
CID 20884971
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 20892210
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272981

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 92703858) is N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2cccc2c1=O.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is OQAOWTFYDQVZGR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-5-2-3-6-12(11)17-14(20)9-19-15(21)13-7-4-8-18(13)10-16-19/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 92703858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).