2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide

C5H12N6 — CID 173477624

IUPAC2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide
SMILESC=C(N)N=C(N)C(N)=C(N)N
InChIInChI=1S/C5H12N6/c1-2(6)11-5(10)3(7)4(8)9/h1,6-9H2,(H2,10,11)
InChIKeyAMTTZHHHLBZAQT-UHFFFAOYSA-N
MW156.19 g/mol
LogP-2.18
Rot. Bonds2

About 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide

2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide (PubChem CID 173477624) has the molecular formula C5H12N6 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide.

Molecular Properties

Compound Name2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide
PubChem CID173477624
Molecular FormulaC5H12N6
Molecular Weight156.19 g/mol
Exact Mass156.11
IUPAC Name2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide
SMILESC=C(N)N=C(N)C(N)=C(N)N
InChIInChI=1S/C5H12N6/c1-2(6)11-5(10)3(7)4(8)9/h1,6-9H2,(H2,10,11)
InChIKeyAMTTZHHHLBZAQT-UHFFFAOYSA-N
XLogP-2.18
TPSA142.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'-(1-aminoethenyl)prop-2-enimidamide?
The IUPAC name of 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide (CID 173477624) is 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide.
What is the SMILES notation for 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide?
The canonical SMILES for 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide is C=C(N)N=C(N)C(N)=C(N)N.
What is the InChIKey of 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide?
The InChIKey is AMTTZHHHLBZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6/c1-2(6)11-5(10)3(7)4(8)9/h1,6-9H2,(H2,10,11).
What are the key properties of 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide?
2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide has a molecular weight of 156.19 g/mol, XLogP of -2.18, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide is sourced from PubChem (CID 173477624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).