N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide

C6H8N4 — CID 176531356

IUPACN-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C1\N=CN\C1=C\C
InChIInChI=1S/C6H8N4/c1-2-5-6(8-3-7)10-4-9-5/h2-4H,1H3,(H2,7,8,9,10)/b5-2+
InChIKeyMEOVNLGHRYIHJN-GORDUTHDSA-N
MW136.16 g/mol
LogP0.53
Rot. Bonds1

About N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide

N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide (PubChem CID 176531356) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide
PubChem CID176531356
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide
SMILES[H]/N=C/N=C1\N=CN\C1=C\C
InChIInChI=1S/C6H8N4/c1-2-5-6(8-3-7)10-4-9-5/h2-4H,1H3,(H2,7,8,9,10)/b5-2+
InChIKeyMEOVNLGHRYIHJN-GORDUTHDSA-N
XLogP0.53
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
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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Related Compounds

CID 20346529
CID 20346529
CID 90084299
CID 90084299
CID 123219496
CID 123219496
CID 130181806
CID 130181806
CID 137030202
CID 137030202
CID 137157877
CID 137157877
CID 137220482
CID 137220482
CID 141120776
CID 141120776
CID 143940343
CID 143940343
CID 145257736
CID 145257736
CID 145371011
CID 145371011
CID 145497001
CID 145497001

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide?
The IUPAC name of N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide (CID 176531356) is N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide.
What is the SMILES notation for N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide?
The canonical SMILES for N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide is [H]/N=C/N=C1\N=CN\C1=C\C.
What is the InChIKey of N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide?
The InChIKey is MEOVNLGHRYIHJN-GORDUTHDSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-5-6(8-3-7)10-4-9-5/h2-4H,1H3,(H2,7,8,9,10)/b5-2+.
What are the key properties of N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide?
N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide has a molecular weight of 136.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-ethylidene-1H-imidazol-4-ylidene]methanimidamide is sourced from PubChem (CID 176531356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).