(E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid

C6H10N4O2 — CID 156613439

IUPAC(E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid
SMILES[H]/N=C(\C/C=C/N=C(N)N)C(=O)O
InChIInChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4+
InChIKeyDTYASQOTNAATQJ-FDMJTUIOSA-N
MW170.17 g/mol
LogP-0.73
Rot. Bonds4

About (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid

(E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid (PubChem CID 156613439) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid
PubChem CID156613439
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid
SMILES[H]/N=C(\C/C=C/N=C(N)N)C(=O)O
InChIInChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4+
InChIKeyDTYASQOTNAATQJ-FDMJTUIOSA-N
XLogP-0.73
TPSA125.55 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid 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 (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid?
The IUPAC name of (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid (CID 156613439) is (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid.
What is the SMILES notation for (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid?
The canonical SMILES for (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid is [H]/N=C(\C/C=C/N=C(N)N)C(=O)O.
What is the InChIKey of (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid?
The InChIKey is DTYASQOTNAATQJ-FDMJTUIOSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4+.
What are the key properties of (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid?
(E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(diaminomethylideneamino)-2-iminopent-4-enoic acid is sourced from PubChem (CID 156613439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).