ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine

C9H16N4 — CID 142610454

IUPACethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine
SMILESCC.[H]/N=C(\C)N1C=CNC(=C)/C1=N\[H]
InChIInChI=1S/C7H10N4.C2H6/c1-5-7(9)11(6(2)8)4-3-10-5;1-2/h3-4,8-10H,1H2,2H3;1-2H3/b8-6+,9-7+;
InChIKeyYZLJSKQVJHWRAY-SLGVWIAZSA-N
MW180.25 g/mol
LogP1.88
Rot. Bonds

About ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine

ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine (PubChem CID 142610454) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine.

Molecular Properties

Compound Nameethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine
PubChem CID142610454
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Nameethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine
SMILESCC.[H]/N=C(\C)N1C=CNC(=C)/C1=N\[H]
InChIInChI=1S/C7H10N4.C2H6/c1-5-7(9)11(6(2)8)4-3-10-5;1-2/h3-4,8-10H,1H2,2H3;1-2H3/b8-6+,9-7+;
InChIKeyYZLJSKQVJHWRAY-SLGVWIAZSA-N
XLogP1.88
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-ethyl-5H-pteridine
CID 20535714
(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 142094873
2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine
CID 142610555
(E)-2-amino-3-(ethenylamino)-3-(ethylideneamino)-N,N-dimethylprop-2-enimidamide
CID 173671368
4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine
CID 142610455
(6-imino-1,3-dimethyl-2H-pyrazin-5-ylidene)methanamine
CID 145668127

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine?
The IUPAC name of ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine (CID 142610454) is ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine.
What is the SMILES notation for ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine?
The canonical SMILES for ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine is CC.[H]/N=C(\C)N1C=CNC(=C)/C1=N\[H].
What is the InChIKey of ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine?
The InChIKey is YZLJSKQVJHWRAY-SLGVWIAZSA-N. The full InChI is InChI=1S/C7H10N4.C2H6/c1-5-7(9)11(6(2)8)4-3-10-5;1-2/h3-4,8-10H,1H2,2H3;1-2H3/b8-6+,9-7+;.
What are the key properties of ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine?
ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine has a molecular weight of 180.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine is sourced from PubChem (CID 142610454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).