3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one

C9H16N4O — CID 114570641

IUPAC3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
SMILESCC(CCN)N(C)c1ncc[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-7(3-4-10)13(2)8-9(14)12-6-5-11-8/h5-7H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyGCTJBDXRJZUQRN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.06
Rot. Bonds4

About 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one

3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one (PubChem CID 114570641) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
PubChem CID114570641
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
SMILESCC(CCN)N(C)c1ncc[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-7(3-4-10)13(2)8-9(14)12-6-5-11-8/h5-7H,3-4,10H2,1-2H3,(H,12,14)
InChIKeyGCTJBDXRJZUQRN-UHFFFAOYSA-N
XLogP-0.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
N'-hydroxy-2-methyl-3-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]propanimidamide
CID 114570754
2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine
CID 82416536
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-[butyl(ethyl)amino]-1H-pyrazin-2-one
CID 115656884
3-[(4-aminophenyl)methyl-methylamino]-1H-pyrazin-2-one
CID 114571079
3-[ethyl(2-methoxyethyl)amino]-1H-pyrazin-2-one
CID 115657183
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
CID 114571206

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one (CID 114570641) is 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one is CC(CCN)N(C)c1ncc[nH]c1=O.
What is the InChIKey of 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one?
The InChIKey is GCTJBDXRJZUQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(3-4-10)13(2)8-9(14)12-6-5-11-8/h5-7H,3-4,10H2,1-2H3,(H,12,14).
What are the key properties of 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one?
3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114570641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).