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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Related Compounds

CID 20067655
CID 20067655
CID 88913465
CID 88913465
CID 129147718
CID 129147718
CID 129274517
CID 129274517
CID 139378535
CID 139378535
CID 142142283
CID 142142283
CID 142610442
CID 142610442
CID 142901244
CID 142901244
CID 143113029
CID 143113029
CID 143725662
CID 143725662
CID 155730363
CID 155730363
CID 164085757
CID 164085757

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).