1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one

C17H29N3O — CID 103967207

IUPAC1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
SMILESCCCn1ccnc(NC2CC(C)(C)CC(C)(C)C2)c1=O
InChIInChI=1S/C17H29N3O/c1-6-8-20-9-7-18-14(15(20)21)19-13-10-16(2,3)12-17(4,5)11-13/h7,9,13H,6,8,10-12H2,1-5H3,(H,18,19)
InChIKeyNJTOYHFAPYJUEW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.67
Rot. Bonds4

About 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one

1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one (PubChem CID 103967207) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
PubChem CID103967207
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
SMILESCCCn1ccnc(NC2CC(C)(C)CC(C)(C)C2)c1=O
InChIInChI=1S/C17H29N3O/c1-6-8-20-9-7-18-14(15(20)21)19-13-10-16(2,3)12-17(4,5)11-13/h7,9,13H,6,8,10-12H2,1-5H3,(H,18,19)
InChIKeyNJTOYHFAPYJUEW-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 103965567
3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
CID 82728930
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300
3-[[2-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 106365605
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one
CID 107164468
1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
CID 106582100
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[[1-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 65028800
3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine
CID 103968163

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one?
The IUPAC name of 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one (CID 103967207) is 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one?
The canonical SMILES for 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one is CCCn1ccnc(NC2CC(C)(C)CC(C)(C)C2)c1=O.
What is the InChIKey of 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one?
The InChIKey is NJTOYHFAPYJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-8-20-9-7-18-14(15(20)21)19-13-10-16(2,3)12-17(4,5)11-13/h7,9,13H,6,8,10-12H2,1-5H3,(H,18,19).
What are the key properties of 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one?
1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one has a molecular weight of 291.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one is sourced from PubChem (CID 103967207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).