3-[butyl(ethyl)amino]-1H-pyrazin-2-one

C10H17N3O — CID 115656884

IUPAC3-[butyl(ethyl)amino]-1H-pyrazin-2-one
SMILESCCCCN(CC)c1ncc[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-3-5-8-13(4-2)9-10(14)12-7-6-11-9/h6-7H,3-5,8H2,1-2H3,(H,12,14)
InChIKeyZZUFOXYJUVRCML-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.40
Rot. Bonds5

About 3-[butyl(ethyl)amino]-1H-pyrazin-2-one

3-[butyl(ethyl)amino]-1H-pyrazin-2-one (PubChem CID 115656884) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-1H-pyrazin-2-one
PubChem CID115656884
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[butyl(ethyl)amino]-1H-pyrazin-2-one
SMILESCCCCN(CC)c1ncc[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-3-5-8-13(4-2)9-10(14)12-7-6-11-9/h6-7H,3-5,8H2,1-2H3,(H,12,14)
InChIKeyZZUFOXYJUVRCML-UHFFFAOYSA-N
XLogP1.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methoxyethyl)amino]-1H-pyrazin-2-one
CID 115657183
3-[[butyl(ethyl)amino]methyl]-1H-pyrazin-2-one
CID 142816357
3-[3-aminopropyl(methyl)amino]-1H-pyrazin-2-one
CID 114570606
3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
3-[2,2-difluoroethyl(methyl)amino]-1H-pyrazin-2-one
CID 114570348
3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114570641
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
CID 107490132
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
3-[methyl(3-phenylpropyl)amino]-1H-pyrazin-2-one
CID 115657080
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[butyl(ethyl)amino]-1H-pyrazin-2-one (CID 115656884) is 3-[butyl(ethyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[butyl(ethyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[butyl(ethyl)amino]-1H-pyrazin-2-one is CCCCN(CC)c1ncc[nH]c1=O.
What is the InChIKey of 3-[butyl(ethyl)amino]-1H-pyrazin-2-one?
The InChIKey is ZZUFOXYJUVRCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-5-8-13(4-2)9-10(14)12-7-6-11-9/h6-7H,3-5,8H2,1-2H3,(H,12,14).
What are the key properties of 3-[butyl(ethyl)amino]-1H-pyrazin-2-one?
3-[butyl(ethyl)amino]-1H-pyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115656884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).