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

C14H23N3O2 — CID 106129389

IUPAC3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CCCC(O)C2)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-7-17-8-6-15-13(14(17)19)16-10-11-4-3-5-12(18)9-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,15,16)
InChIKeyZQADDMCCHUWMEJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.62
Rot. Bonds5

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

3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 106129389) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
PubChem CID106129389
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CCCC(O)C2)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-7-17-8-6-15-13(14(17)19)16-10-11-4-3-5-12(18)9-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,15,16)
InChIKeyZQADDMCCHUWMEJ-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 103931018
3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 62928622
1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 106127875
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300
cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 91788745
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 79400978
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-propylpyrazin-2-one
CID 79082149

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one (CID 106129389) is 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC2CCCC(O)C2)c1=O.
What is the InChIKey of 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is ZQADDMCCHUWMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-17-8-6-15-13(14(17)19)16-10-11-4-3-5-12(18)9-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,15,16).
What are the key properties of 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one?
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 106129389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).