3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one

C15H25N3O — CID 62928622

IUPAC3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CCCCC2C)c1=O
InChIInChI=1S/C15H25N3O/c1-3-9-18-10-8-16-14(15(18)19)17-11-13-7-5-4-6-12(13)2/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17)
InChIKeyLACLKZASLYOIDD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.89
Rot. Bonds5

About 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one

3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62928622) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
PubChem CID62928622
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CCCCC2C)c1=O
InChIInChI=1S/C15H25N3O/c1-3-9-18-10-8-16-14(15(18)19)17-11-13-7-5-4-6-12(13)2/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17)
InChIKeyLACLKZASLYOIDD-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
3-[[2-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 106365605
3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300
1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one
CID 115657073
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one
CID 79082149
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106563824
3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
CID 82728930
3-(morpholin-2-ylmethylamino)-1-propylpyrazin-2-one
CID 115324122
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one (CID 62928622) is 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC2CCCCC2C)c1=O.
What is the InChIKey of 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is LACLKZASLYOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-9-18-10-8-16-14(15(18)19)17-11-13-7-5-4-6-12(13)2/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one?
3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62928622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).