1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile

C9H10N4O — CID 119103522

IUPAC1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile
SMILESCn1ccnc(N2CC(C#N)C2)c1=O
InChIInChI=1S/C9H10N4O/c1-12-3-2-11-8(9(12)14)13-5-7(4-10)6-13/h2-3,7H,5-6H2,1H3
InChIKeyKNQXGTSVPKCLGY-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.26
Rot. Bonds1

About 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile

1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile (PubChem CID 119103522) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile
PubChem CID119103522
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile
SMILESCn1ccnc(N2CC(C#N)C2)c1=O
InChIInChI=1S/C9H10N4O/c1-12-3-2-11-8(9(12)14)13-5-7(4-10)6-13/h2-3,7H,5-6H2,1H3
InChIKeyKNQXGTSVPKCLGY-UHFFFAOYSA-N
XLogP-0.26
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)pyrazin-2-one
CID 126900203
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
CID 66196590
3-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-1-methylpyrazin-2-one
CID 62940977
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile?
The IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile (CID 119103522) is 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile.
What is the SMILES notation for 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile?
The canonical SMILES for 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile is Cn1ccnc(N2CC(C#N)C2)c1=O.
What is the InChIKey of 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile?
The InChIKey is KNQXGTSVPKCLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-3-2-11-8(9(12)14)13-5-7(4-10)6-13/h2-3,7H,5-6H2,1H3.
What are the key properties of 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile?
1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile is sourced from PubChem (CID 119103522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).