carbamimidoyl(methylidyne)azanium

C2H4N3+ — CID 22416555

IUPACcarbamimidoyl(methylidyne)azanium
SMILES[H]/N=C(/N)[N+]#C
InChIInChI=1S/C2H4N3/c1-5-2(3)4/h1H,(H3,3,4)/q+1
InChIKeyCXWCVMMKLLMXHQ-UHFFFAOYSA-N
MW70.07 g/mol
LogP-0.16
Rot. Bonds

About carbamimidoyl(methylidyne)azanium

carbamimidoyl(methylidyne)azanium (PubChem CID 22416555) has the molecular formula C2H4N3+ and a molecular weight of 70.07 g/mol. Its IUPAC name is carbamimidoyl(methylidyne)azanium.

Molecular Properties

Compound Namecarbamimidoyl(methylidyne)azanium
PubChem CID22416555
Molecular FormulaC2H4N3+
Molecular Weight70.07 g/mol
Exact Mass70.04
IUPAC Namecarbamimidoyl(methylidyne)azanium
SMILES[H]/N=C(/N)[N+]#C
InChIInChI=1S/C2H4N3/c1-5-2(3)4/h1H,(H3,3,4)/q+1
InChIKeyCXWCVMMKLLMXHQ-UHFFFAOYSA-N
XLogP-0.16
TPSA54.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.07
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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(methylidyne)azanium?
The IUPAC name of carbamimidoyl(methylidyne)azanium (CID 22416555) is carbamimidoyl(methylidyne)azanium.
What is the SMILES notation for carbamimidoyl(methylidyne)azanium?
The canonical SMILES for carbamimidoyl(methylidyne)azanium is [H]/N=C(/N)[N+]#C.
What is the InChIKey of carbamimidoyl(methylidyne)azanium?
The InChIKey is CXWCVMMKLLMXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N3/c1-5-2(3)4/h1H,(H3,3,4)/q+1.
What are the key properties of carbamimidoyl(methylidyne)azanium?
carbamimidoyl(methylidyne)azanium has a molecular weight of 70.07 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl(methylidyne)azanium is sourced from PubChem (CID 22416555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).