1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one

C14H21N5O — CID 62938441

IUPAC1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCCCn2ccnc2)c1=O
InChIInChI=1S/C14H21N5O/c1-14(2,3)19-10-7-17-12(13(19)20)16-5-4-8-18-9-6-15-11-18/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyUGJWVVLXXBPYCH-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.70
Rot. Bonds5

About 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one

1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one (PubChem CID 62938441) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
PubChem CID62938441
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCCCn2ccnc2)c1=O
InChIInChI=1S/C14H21N5O/c1-14(2,3)19-10-7-17-12(13(19)20)16-5-4-8-18-9-6-15-11-18/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyUGJWVVLXXBPYCH-UHFFFAOYSA-N
XLogP1.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
CID 62938464
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one (CID 62938441) is 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NCCCn2ccnc2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one?
The InChIKey is UGJWVVLXXBPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)19-10-7-17-12(13(19)20)16-5-4-8-18-9-6-15-11-18/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one?
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one has a molecular weight of 275.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one is sourced from PubChem (CID 62938441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).