N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide

C6H8N4 — CID 147400047

IUPACN'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
SMILESC=C1NC=N/C1=N\C=N\C
InChIInChI=1S/C6H8N4/c1-5-6(9-3-7-2)10-4-8-5/h3-4H,1H2,2H3,(H,7,8,9,10)
InChIKeyDOOPZMLHVFWASZ-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.19
Rot. Bonds1

About N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide

N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide (PubChem CID 147400047) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
PubChem CID147400047
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
SMILESC=C1NC=N/C1=N\C=N\C
InChIInChI=1S/C6H8N4/c1-5-6(9-3-7-2)10-4-8-5/h3-4H,1H2,2H3,(H,7,8,9,10)
InChIKeyDOOPZMLHVFWASZ-UHFFFAOYSA-N
XLogP0.19
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide (CID 147400047) is N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide is C=C1NC=N/C1=N\C=N\C.
What is the InChIKey of N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide?
The InChIKey is DOOPZMLHVFWASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5-6(9-3-7-2)10-4-8-5/h3-4H,1H2,2H3,(H,7,8,9,10).
What are the key properties of N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide?
N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide has a molecular weight of 136.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide is sourced from PubChem (CID 147400047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).