ethane;(2-methylidenepyrazin-1-yl)methanimine

C8H13N3 — CID 145045460

IUPACethane;(2-methylidenepyrazin-1-yl)methanimine
SMILESCC.[H]/N=C/N1C=CN=CC1=C
InChIInChI=1S/C6H7N3.C2H6/c1-6-4-8-2-3-9(6)5-7;1-2/h2-5,7H,1H2;1-2H3/b7-5+;
InChIKeyYYFNTNIAZYAARH-GZOLSCHFSA-N
MW151.21 g/mol
LogP1.99
Rot. Bonds1

About ethane;(2-methylidenepyrazin-1-yl)methanimine

ethane;(2-methylidenepyrazin-1-yl)methanimine (PubChem CID 145045460) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is ethane;(2-methylidenepyrazin-1-yl)methanimine.

Molecular Properties

Compound Nameethane;(2-methylidenepyrazin-1-yl)methanimine
PubChem CID145045460
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Nameethane;(2-methylidenepyrazin-1-yl)methanimine
SMILESCC.[H]/N=C/N1C=CN=CC1=C
InChIInChI=1S/C6H7N3.C2H6/c1-6-4-8-2-3-9(6)5-7;1-2/h2-5,7H,1H2;1-2H3/b7-5+;
InChIKeyYYFNTNIAZYAARH-GZOLSCHFSA-N
XLogP1.99
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 1-ethyl-1,2-dihydro-2-imino-
CID 119098027
[(2Z)-2-(fluoromethylidene)pyrazin-1-yl]methanimine
CID 170093949
[(2Z)-2-(iodomethylidene)pyrazin-1-yl]methanimine
CID 129049065
1-Ethyl-5-methylpyrazin-2-imine
CID 166726546
N-methyl-N-[(Z)-prop-1-enyl]-2-prop-1-en-2-yliminoethanimidamide
CID 167146885
Ethane;1-ethenyl-5-methylpyrimidin-2-imine
CID 169161633
1,6-Dimethylpyrazin-2-imine
CID 174677808
(2-Methylidenepyrazin-1-yl)methanimine
CID 145045461

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methylidenepyrazin-1-yl)methanimine?
The IUPAC name of ethane;(2-methylidenepyrazin-1-yl)methanimine (CID 145045460) is ethane;(2-methylidenepyrazin-1-yl)methanimine.
What is the SMILES notation for ethane;(2-methylidenepyrazin-1-yl)methanimine?
The canonical SMILES for ethane;(2-methylidenepyrazin-1-yl)methanimine is CC.[H]/N=C/N1C=CN=CC1=C.
What is the InChIKey of ethane;(2-methylidenepyrazin-1-yl)methanimine?
The InChIKey is YYFNTNIAZYAARH-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H7N3.C2H6/c1-6-4-8-2-3-9(6)5-7;1-2/h2-5,7H,1H2;1-2H3/b7-5+;.
What are the key properties of ethane;(2-methylidenepyrazin-1-yl)methanimine?
ethane;(2-methylidenepyrazin-1-yl)methanimine has a molecular weight of 151.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methylidenepyrazin-1-yl)methanimine is sourced from PubChem (CID 145045460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).