6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one

C10H14N4O — CID 163778794

IUPAC6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one
SMILESC/C=C/N=c1\c(=O)[nH]c(C)cn1/C=N/C
InChIInChI=1S/C10H14N4O/c1-4-5-12-9-10(15)13-8(2)6-14(9)7-11-3/h4-7H,1-3H3,(H,13,15)/b5-4+,11-7+,12-9+
InChIKeyMMUOVITZKFSWCI-FGBYYYKZSA-N
MW206.25 g/mol
LogP0.43
Rot. Bonds2

About 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one

6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one (PubChem CID 163778794) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one
PubChem CID163778794
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one
SMILESC/C=C/N=c1\c(=O)[nH]c(C)cn1/C=N/C
InChIInChI=1S/C10H14N4O/c1-4-5-12-9-10(15)13-8(2)6-14(9)7-11-3/h4-7H,1-3H3,(H,13,15)/b5-4+,11-7+,12-9+
InChIKeyMMUOVITZKFSWCI-FGBYYYKZSA-N
XLogP0.43
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one?
The IUPAC name of 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one (CID 163778794) is 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one.
What is the SMILES notation for 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one?
The canonical SMILES for 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one is C/C=C/N=c1\c(=O)[nH]c(C)cn1/C=N/C.
What is the InChIKey of 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one?
The InChIKey is MMUOVITZKFSWCI-FGBYYYKZSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-5-12-9-10(15)13-8(2)6-14(9)7-11-3/h4-7H,1-3H3,(H,13,15)/b5-4+,11-7+,12-9+.
What are the key properties of 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one?
6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methyliminomethyl)-3-[(E)-prop-1-enyl]imino-1H-pyrazin-2-one is sourced from PubChem (CID 163778794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).