carbamimidoyl(ethenyl)azanium chloride

C3H8ClN3 — CID 87178746

IUPACcarbamimidoyl(ethenyl)azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]C=C
InChIInChI=1S/C3H7N3.ClH/c1-2-6-3(4)5;/h2H,1H2,(H4,4,5,6);1H
InChIKeyRIKONTGWNXCPNS-UHFFFAOYSA-N
MW121.57 g/mol
LogP-4.41
Rot. Bonds1

About carbamimidoyl(ethenyl)azanium chloride

carbamimidoyl(ethenyl)azanium chloride (PubChem CID 87178746) has the molecular formula C3H8ClN3 and a molecular weight of 121.57 g/mol. Its IUPAC name is carbamimidoyl(ethenyl)azanium chloride.

Molecular Properties

Compound Namecarbamimidoyl(ethenyl)azanium chloride
PubChem CID87178746
Molecular FormulaC3H8ClN3
Molecular Weight121.57 g/mol
Exact Mass121.04
IUPAC Namecarbamimidoyl(ethenyl)azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]C=C
InChIInChI=1S/C3H7N3.ClH/c1-2-6-3(4)5;/h2H,1H2,(H4,4,5,6);1H
InChIKeyRIKONTGWNXCPNS-UHFFFAOYSA-N
XLogP-4.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 5-4.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 carbamimidoyl(ethenyl)azanium chloride?
The IUPAC name of carbamimidoyl(ethenyl)azanium chloride (CID 87178746) is carbamimidoyl(ethenyl)azanium chloride.
What is the SMILES notation for carbamimidoyl(ethenyl)azanium chloride?
The canonical SMILES for carbamimidoyl(ethenyl)azanium chloride is [Cl-].[H]/N=C(\N)[NH2+]C=C.
What is the InChIKey of carbamimidoyl(ethenyl)azanium chloride?
The InChIKey is RIKONTGWNXCPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3.ClH/c1-2-6-3(4)5;/h2H,1H2,(H4,4,5,6);1H.
What are the key properties of carbamimidoyl(ethenyl)azanium chloride?
carbamimidoyl(ethenyl)azanium chloride has a molecular weight of 121.57 g/mol, XLogP of -4.41, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl(ethenyl)azanium chloride is sourced from PubChem (CID 87178746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).