N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide

C7H13N5 — CID 173478625

IUPACN'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide
SMILESC=CN/C(N=CN)=C(\N)C(=C)N
InChIInChI=1S/C7H13N5/c1-3-11-7(12-4-8)6(10)5(2)9/h3-4,11H,1-2,9-10H2,(H2,8,12)/b7-6+
InChIKeyKWUPXTWVYRAFLD-VOTSOKGWSA-N
MW167.22 g/mol
LogP-0.69
Rot. Bonds4

About N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide

N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide (PubChem CID 173478625) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide
PubChem CID173478625
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide
SMILESC=CN/C(N=CN)=C(\N)C(=C)N
InChIInChI=1S/C7H13N5/c1-3-11-7(12-4-8)6(10)5(2)9/h3-4,11H,1-2,9-10H2,(H2,8,12)/b7-6+
InChIKeyKWUPXTWVYRAFLD-VOTSOKGWSA-N
XLogP-0.69
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
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': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide (CID 173478625) is N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide is C=CN/C(N=CN)=C(\N)C(=C)N.
What is the InChIKey of N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide?
The InChIKey is KWUPXTWVYRAFLD-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-11-7(12-4-8)6(10)5(2)9/h3-4,11H,1-2,9-10H2,(H2,8,12)/b7-6+.
What are the key properties of N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide?
N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide has a molecular weight of 167.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2,3-diamino-1-(ethenylamino)buta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 173478625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).