3-methyltriazolidin-4-imine

C3H8N4 — CID 123344504

IUPAC3-methyltriazolidin-4-imine
SMILES[H]/N=C1\CNNN1C
InChIInChI=1S/C3H8N4/c1-7-3(4)2-5-6-7/h4-6H,2H2,1H3/b4-3+
InChIKeyFZPQZCMRCJSBLD-ONEGZZNKSA-N
MW100.12 g/mol
LogP-1.08
Rot. Bonds

About 3-methyltriazolidin-4-imine

3-methyltriazolidin-4-imine (PubChem CID 123344504) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methyltriazolidin-4-imine.

Molecular Properties

Compound Name3-methyltriazolidin-4-imine
PubChem CID123344504
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC Name3-methyltriazolidin-4-imine
SMILES[H]/N=C1\CNNN1C
InChIInChI=1S/C3H8N4/c1-7-3(4)2-5-6-7/h4-6H,2H2,1H3/b4-3+
InChIKeyFZPQZCMRCJSBLD-ONEGZZNKSA-N
XLogP-1.08
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyltriazolidin-4-imine?
The IUPAC name of 3-methyltriazolidin-4-imine (CID 123344504) is 3-methyltriazolidin-4-imine.
What is the SMILES notation for 3-methyltriazolidin-4-imine?
The canonical SMILES for 3-methyltriazolidin-4-imine is [H]/N=C1\CNNN1C.
What is the InChIKey of 3-methyltriazolidin-4-imine?
The InChIKey is FZPQZCMRCJSBLD-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H8N4/c1-7-3(4)2-5-6-7/h4-6H,2H2,1H3/b4-3+.
What are the key properties of 3-methyltriazolidin-4-imine?
3-methyltriazolidin-4-imine has a molecular weight of 100.12 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltriazolidin-4-imine is sourced from PubChem (CID 123344504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).