2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile

C10H14N4O — CID 62940589

IUPAC2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)c1nccn(C)c1=O
InChIInChI=1S/C10H14N4O/c1-8(6-11)7-14(3)9-10(15)13(2)5-4-12-9/h4-5,8H,7H2,1-3H3
InChIKeyMISIBKMABPLCMJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.38
Rot. Bonds3

About 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile

2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile (PubChem CID 62940589) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
PubChem CID62940589
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)c1nccn(C)c1=O
InChIInChI=1S/C10H14N4O/c1-8(6-11)7-14(3)9-10(15)13(2)5-4-12-9/h4-5,8H,7H2,1-3H3
InChIKeyMISIBKMABPLCMJ-UHFFFAOYSA-N
XLogP0.38
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[methyl-[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 106918192
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
CID 136519461
3-[(4-aminophenyl)methyl-propan-2-ylamino]-1-methylpyrazin-2-one
CID 62940797
1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
CID 84597024
3-[(5-aminopyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 79917514
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
2-[2-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]benzoic acid
CID 104547169
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile (CID 62940589) is 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile is CC(C#N)CN(C)c1nccn(C)c1=O.
What is the InChIKey of 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The InChIKey is MISIBKMABPLCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(6-11)7-14(3)9-10(15)13(2)5-4-12-9/h4-5,8H,7H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile is sourced from PubChem (CID 62940589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).