(E)-2-amino-N'-methanimidoylbut-2-enimidamide

C5H10N4 — CID 129157149

IUPAC(E)-2-amino-N'-methanimidoylbut-2-enimidamide
SMILES[H]/N=C/N=C(N)/C(N)=C\C
InChIInChI=1S/C5H10N4/c1-2-4(7)5(8)9-3-6/h2-3H,7H2,1H3,(H3,6,8,9)/b4-2+
InChIKeyOVLBMVQLQCRDAW-DUXPYHPUSA-N
MW126.16 g/mol
LogP-0.19
Rot. Bonds2

About (E)-2-amino-N'-methanimidoylbut-2-enimidamide

(E)-2-amino-N'-methanimidoylbut-2-enimidamide (PubChem CID 129157149) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-2-amino-N'-methanimidoylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-2-amino-N'-methanimidoylbut-2-enimidamide
PubChem CID129157149
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(E)-2-amino-N'-methanimidoylbut-2-enimidamide
SMILES[H]/N=C/N=C(N)/C(N)=C\C
InChIInChI=1S/C5H10N4/c1-2-4(7)5(8)9-3-6/h2-3H,7H2,1H3,(H3,6,8,9)/b4-2+
InChIKeyOVLBMVQLQCRDAW-DUXPYHPUSA-N
XLogP-0.19
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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 (E)-2-amino-N'-methanimidoylbut-2-enimidamide?
The IUPAC name of (E)-2-amino-N'-methanimidoylbut-2-enimidamide (CID 129157149) is (E)-2-amino-N'-methanimidoylbut-2-enimidamide.
What is the SMILES notation for (E)-2-amino-N'-methanimidoylbut-2-enimidamide?
The canonical SMILES for (E)-2-amino-N'-methanimidoylbut-2-enimidamide is [H]/N=C/N=C(N)/C(N)=C\C.
What is the InChIKey of (E)-2-amino-N'-methanimidoylbut-2-enimidamide?
The InChIKey is OVLBMVQLQCRDAW-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-4(7)5(8)9-3-6/h2-3H,7H2,1H3,(H3,6,8,9)/b4-2+.
What are the key properties of (E)-2-amino-N'-methanimidoylbut-2-enimidamide?
(E)-2-amino-N'-methanimidoylbut-2-enimidamide has a molecular weight of 126.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-N'-methanimidoylbut-2-enimidamide is sourced from PubChem (CID 129157149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).