1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one

C14H23N3O2 — CID 106127875

IUPAC1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCC2CCC(O)C2)c1=O
InChIInChI=1S/C14H23N3O2/c1-14(2,3)17-7-6-15-12(13(17)19)16-9-10-4-5-11(18)8-10/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyHYNRPDLOVLKCGL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.57
Rot. Bonds3

About 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one

1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one (PubChem CID 106127875) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
PubChem CID106127875
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCC2CCC(O)C2)c1=O
InChIInChI=1S/C14H23N3O2/c1-14(2,3)17-7-6-15-12(13(17)19)16-9-10-4-5-11(18)8-10/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyHYNRPDLOVLKCGL-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.57
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-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106127769
1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
CID 62927934
3-[(2-amino-2-cyclopropylethyl)amino]-1-tert-butylpyrazin-2-one
CID 55243356
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one
CID 62939668
1-tert-butyl-3-(cyclooctylamino)pyrazin-2-one
CID 62938781
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one
CID 113467280
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one (CID 106127875) is 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one is CC(C)(C)n1ccnc(NCC2CCC(O)C2)c1=O.
What is the InChIKey of 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one?
The InChIKey is HYNRPDLOVLKCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)17-7-6-15-12(13(17)19)16-9-10-4-5-11(18)8-10/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one?
1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 106127875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).