2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine

C9H14N4 — CID 142610555

IUPAC2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine
SMILES[H]/N=C1\C(=C)NC=CN1/C(=N/[H])C(C)C
InChIInChI=1S/C9H14N4/c1-6(2)8(10)13-5-4-12-7(3)9(13)11/h4-6,10-12H,3H2,1-2H3/b10-8+,11-9+
InChIKeyFEYIPPYUOPTEND-GFULKKFKSA-N
MW178.24 g/mol
LogP1.49
Rot. Bonds1

About 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine

2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine (PubChem CID 142610555) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine.

Molecular Properties

Compound Name2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine
PubChem CID142610555
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine
SMILES[H]/N=C1\C(=C)NC=CN1/C(=N/[H])C(C)C
InChIInChI=1S/C9H14N4/c1-6(2)8(10)13-5-4-12-7(3)9(13)11/h4-6,10-12H,3H2,1-2H3/b10-8+,11-9+
InChIKeyFEYIPPYUOPTEND-GFULKKFKSA-N
XLogP1.49
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.49
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

ethane;4-ethanimidoyl-2-methylidene-1H-pyrazin-3-imine
CID 142610454
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 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine?
The IUPAC name of 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine (CID 142610555) is 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine.
What is the SMILES notation for 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine?
The canonical SMILES for 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine is [H]/N=C1\C(=C)NC=CN1/C(=N/[H])C(C)C.
What is the InChIKey of 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine?
The InChIKey is FEYIPPYUOPTEND-GFULKKFKSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(2)8(10)13-5-4-12-7(3)9(13)11/h4-6,10-12H,3H2,1-2H3/b10-8+,11-9+.
What are the key properties of 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine?
2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine has a molecular weight of 178.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(2-methylpropanimidoyl)-1H-pyrazin-3-imine is sourced from PubChem (CID 142610555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).