(Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine

C6H8N4 — CID 131966172

IUPAC(Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine
SMILESC=N/N=C\n1ccnc1C
InChIInChI=1S/C6H8N4/c1-6-8-3-4-10(6)5-9-7-2/h3-5H,2H2,1H3/b9-5-
InChIKeyHBTRUYXOMILLIW-UITAMQMPSA-N
MW136.16 g/mol
LogP0.68
Rot. Bonds2

About (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine

(Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine (PubChem CID 131966172) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine
PubChem CID131966172
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name(Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine
SMILESC=N/N=C\n1ccnc1C
InChIInChI=1S/C6H8N4/c1-6-8-3-4-10(6)5-9-7-2/h3-5H,2H2,1H3/b9-5-
InChIKeyHBTRUYXOMILLIW-UITAMQMPSA-N
XLogP0.68
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine?
The IUPAC name of (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine (CID 131966172) is (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine.
What is the SMILES notation for (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine?
The canonical SMILES for (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine is C=N/N=C\n1ccnc1C.
What is the InChIKey of (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine?
The InChIKey is HBTRUYXOMILLIW-UITAMQMPSA-N. The full InChI is InChI=1S/C6H8N4/c1-6-8-3-4-10(6)5-9-7-2/h3-5H,2H2,1H3/b9-5-.
What are the key properties of (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine?
(Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine has a molecular weight of 136.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)-1-(2-methylimidazol-1-yl)methanimine is sourced from PubChem (CID 131966172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).