6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane

C9H17N3O — CID 154669815

IUPAC6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane
SMILESC.C/C(N)=C/C1=NCCN(C)C1=O
InChIInChI=1S/C8H13N3O.CH4/c1-6(9)5-7-8(12)11(2)4-3-10-7;/h5H,3-4,9H2,1-2H3;1H4/b6-5-;
InChIKeyZFGMUSJBXOSUDF-YSMBQZINSA-N
MW183.25 g/mol
LogP0.40
Rot. Bonds1

About 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane

6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane (PubChem CID 154669815) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane.

Molecular Properties

Compound Name6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane
PubChem CID154669815
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane
SMILESC.C/C(N)=C/C1=NCCN(C)C1=O
InChIInChI=1S/C8H13N3O.CH4/c1-6(9)5-7-8(12)11(2)4-3-10-7;/h5H,3-4,9H2,1-2H3;1H4/b6-5-;
InChIKeyZFGMUSJBXOSUDF-YSMBQZINSA-N
XLogP0.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane?
The IUPAC name of 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane (CID 154669815) is 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane.
What is the SMILES notation for 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane?
The canonical SMILES for 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane is C.C/C(N)=C/C1=NCCN(C)C1=O.
What is the InChIKey of 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane?
The InChIKey is ZFGMUSJBXOSUDF-YSMBQZINSA-N. The full InChI is InChI=1S/C8H13N3O.CH4/c1-6(9)5-7-8(12)11(2)4-3-10-7;/h5H,3-4,9H2,1-2H3;1H4/b6-5-;.
What are the key properties of 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane?
6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane has a molecular weight of 183.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane is sourced from PubChem (CID 154669815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).