1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine

C11H13N5 — CID 164612588

IUPAC1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine
SMILESC/C(=N\Nc1nccn1C)c1ccccn1
InChIInChI=1S/C11H13N5/c1-9(10-5-3-4-6-12-10)14-15-11-13-7-8-16(11)2/h3-8H,1-2H3,(H,13,15)/b14-9+
InChIKeyJOHNDHJLXOUVPS-NTEUORMPSA-N
MW215.26 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine

1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine (PubChem CID 164612588) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine
PubChem CID164612588
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine
SMILESC/C(=N\Nc1nccn1C)c1ccccn1
InChIInChI=1S/C11H13N5/c1-9(10-5-3-4-6-12-10)14-15-11-13-7-8-16(11)2/h3-8H,1-2H3,(H,13,15)/b14-9+
InChIKeyJOHNDHJLXOUVPS-NTEUORMPSA-N
XLogP1.65
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine?
The IUPAC name of 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine (CID 164612588) is 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine is C/C(=N\Nc1nccn1C)c1ccccn1.
What is the InChIKey of 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine?
The InChIKey is JOHNDHJLXOUVPS-NTEUORMPSA-N. The full InChI is InChI=1S/C11H13N5/c1-9(10-5-3-4-6-12-10)14-15-11-13-7-8-16(11)2/h3-8H,1-2H3,(H,13,15)/b14-9+.
What are the key properties of 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine?
1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine has a molecular weight of 215.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]imidazol-2-amine is sourced from PubChem (CID 164612588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).