2,3,3-triamino-N'-methylprop-2-enimidamide

C4H11N5 — CID 129274517

IUPAC2,3,3-triamino-N'-methylprop-2-enimidamide
SMILESC/N=C(\N)C(N)=C(N)N
InChIInChI=1S/C4H11N5/c1-9-4(8)2(5)3(6)7/h5-7H2,1H3,(H2,8,9)
InChIKeyHWOSRNOBESRDAF-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.98
Rot. Bonds1

About 2,3,3-triamino-N'-methylprop-2-enimidamide

2,3,3-triamino-N'-methylprop-2-enimidamide (PubChem CID 129274517) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 2,3,3-triamino-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name2,3,3-triamino-N'-methylprop-2-enimidamide
PubChem CID129274517
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name2,3,3-triamino-N'-methylprop-2-enimidamide
SMILESC/N=C(\N)C(N)=C(N)N
InChIInChI=1S/C4H11N5/c1-9-4(8)2(5)3(6)7/h5-7H2,1H3,(H2,8,9)
InChIKeyHWOSRNOBESRDAF-UHFFFAOYSA-N
XLogP-1.98
TPSA116.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-triamino-N'-methylprop-2-enimidamide?
The IUPAC name of 2,3,3-triamino-N'-methylprop-2-enimidamide (CID 129274517) is 2,3,3-triamino-N'-methylprop-2-enimidamide.
What is the SMILES notation for 2,3,3-triamino-N'-methylprop-2-enimidamide?
The canonical SMILES for 2,3,3-triamino-N'-methylprop-2-enimidamide is C/N=C(\N)C(N)=C(N)N.
What is the InChIKey of 2,3,3-triamino-N'-methylprop-2-enimidamide?
The InChIKey is HWOSRNOBESRDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-9-4(8)2(5)3(6)7/h5-7H2,1H3,(H2,8,9).
What are the key properties of 2,3,3-triamino-N'-methylprop-2-enimidamide?
2,3,3-triamino-N'-methylprop-2-enimidamide has a molecular weight of 129.17 g/mol, XLogP of -1.98, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triamino-N'-methylprop-2-enimidamide is sourced from PubChem (CID 129274517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).