ethanediimidamide;trihydrochloride

C2H9Cl3N4 — CID 139639987

IUPACethanediimidamide;trihydrochloride
SMILESCl.Cl.Cl.[H]/N=C(N)/C(N)=N/[H]
InChIInChI=1S/C2H6N4.3ClH/c3-1(4)2(5)6;;;/h(H3,3,4)(H3,5,6);3*1H
InChIKeyKXOFUUASPAGCPE-UHFFFAOYSA-N
MW195.48 g/mol
LogP0.12
Rot. Bonds

About ethanediimidamide;trihydrochloride

ethanediimidamide;trihydrochloride (PubChem CID 139639987) has the molecular formula C2H9Cl3N4 and a molecular weight of 195.48 g/mol. Its IUPAC name is ethanediimidamide;trihydrochloride.

Molecular Properties

Compound Nameethanediimidamide;trihydrochloride
PubChem CID139639987
Molecular FormulaC2H9Cl3N4
Molecular Weight195.48 g/mol
Exact Mass193.99
IUPAC Nameethanediimidamide;trihydrochloride
SMILESCl.Cl.Cl.[H]/N=C(N)/C(N)=N/[H]
InChIInChI=1S/C2H6N4.3ClH/c3-1(4)2(5)6;;;/h(H3,3,4)(H3,5,6);3*1H
InChIKeyKXOFUUASPAGCPE-UHFFFAOYSA-N
XLogP0.12
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.48
LogP ≤ 50.12
H-Bond Donors ≤ 54
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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Related Compounds

2-iminopropanimidamide
CID 174066114
ethanimidamide;hydrate;hydrochloride
CID 160733537
bis(ethanediimidamide);toluene
CID 70390031
2-cyclopropyl-2-oxoethanimidamide;hydrochloride
CID 55283804
butanediimidamide;dihydrochloride
CID 88614640
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
2-amino-2-cyclopropylideneethanimidamide
CID 163877351
alumanylmethanimidamide
CID 174565420
CID 174391315
CID 174391315
carbamimidoyl iodide;hydron
CID 174864753
cobalt;ethanimidamide
CID 162055614
carbamimidoyl fluoride;λ2-plumbane
CID 175191014

Frequently Asked Questions

What is the IUPAC name of ethanediimidamide;trihydrochloride?
The IUPAC name of ethanediimidamide;trihydrochloride (CID 139639987) is ethanediimidamide;trihydrochloride.
What is the SMILES notation for ethanediimidamide;trihydrochloride?
The canonical SMILES for ethanediimidamide;trihydrochloride is Cl.Cl.Cl.[H]/N=C(N)/C(N)=N/[H].
What is the InChIKey of ethanediimidamide;trihydrochloride?
The InChIKey is KXOFUUASPAGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4.3ClH/c3-1(4)2(5)6;;;/h(H3,3,4)(H3,5,6);3*1H.
What are the key properties of ethanediimidamide;trihydrochloride?
ethanediimidamide;trihydrochloride has a molecular weight of 195.48 g/mol, XLogP of 0.12, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanediimidamide;trihydrochloride is sourced from PubChem (CID 139639987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).