(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide

C5H10N4 — CID 136760137

IUPAC(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C(N)/C=C/N
InChIInChI=1S/C5H10N4/c6-2-1-4(7)3-5(8)9/h1-3H,6-7H2,(H3,8,9)/b2-1+,4-3-
InChIKeyVLKUBEYBSILLJE-XLFBNKDWSA-N
MW126.16 g/mol
LogP-0.76
Rot. Bonds2

About (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide

(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide (PubChem CID 136760137) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide
PubChem CID136760137
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C(N)/C=C/N
InChIInChI=1S/C5H10N4/c6-2-1-4(7)3-5(8)9/h1-3H,6-7H2,(H3,8,9)/b2-1+,4-3-
InChIKeyVLKUBEYBSILLJE-XLFBNKDWSA-N
XLogP-0.76
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.76
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide?
The IUPAC name of (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide (CID 136760137) is (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide.
What is the SMILES notation for (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide?
The canonical SMILES for (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide is [H]/N=C(N)/C=C(N)/C=C/N.
What is the InChIKey of (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide?
The InChIKey is VLKUBEYBSILLJE-XLFBNKDWSA-N. The full InChI is InChI=1S/C5H10N4/c6-2-1-4(7)3-5(8)9/h1-3H,6-7H2,(H3,8,9)/b2-1+,4-3-.
What are the key properties of (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide?
(2Z,4E)-3,5-diaminopenta-2,4-dienimidamide has a molecular weight of 126.16 g/mol, XLogP of -0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,5-diaminopenta-2,4-dienimidamide is sourced from PubChem (CID 136760137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).