3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one

C13H23N3O — CID 114174313

IUPAC3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
SMILESCCC(C)(CC)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-6-13(5,7-2)15-11-12(17)16(10(3)4)9-8-14-11/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyUTMGJQIMPMYICD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.81
Rot. Bonds5

About 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one

3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one (PubChem CID 114174313) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
PubChem CID114174313
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
SMILESCCC(C)(CC)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C13H23N3O/c1-6-13(5,7-2)15-11-12(17)16(10(3)4)9-8-14-11/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyUTMGJQIMPMYICD-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
2-ethyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 79806400
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-[(1-chloro-2-methylbutan-2-yl)amino]-1-methylpyrazin-2-one
CID 65028349
3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 64549067
3-[(4-chloro-2,2-dimethylbutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106141809
2,2-dimethyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanamide
CID 106277774
3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one
CID 106165626
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 113313327
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 83113978
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one (CID 114174313) is 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one is CCC(C)(CC)Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one?
The InChIKey is UTMGJQIMPMYICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-13(5,7-2)15-11-12(17)16(10(3)4)9-8-14-11/h8-10H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one?
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 114174313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).