1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne

C2H3N4+ — CID 152748914

IUPAC1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne
SMILESCn1c#[n+]nn1
InChIInChI=1S/C2H3N4/c1-6-2-3-4-5-6/h1H3/q+1
InChIKeyAETUPUXCVURXNR-UHFFFAOYSA-N
MW83.07 g/mol
LogP-1.78
Rot. Bonds

About 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne

1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne (PubChem CID 152748914) has the molecular formula C2H3N4+ and a molecular weight of 83.07 g/mol. Its IUPAC name is 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne.

Molecular Properties

Compound Name1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne
PubChem CID152748914
Molecular FormulaC2H3N4+
Molecular Weight83.07 g/mol
Exact Mass83.04
IUPAC Name1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne
SMILESCn1c#[n+]nn1
InChIInChI=1S/C2H3N4/c1-6-2-3-4-5-6/h1H3/q+1
InChIKeyAETUPUXCVURXNR-UHFFFAOYSA-N
XLogP-1.78
TPSA44.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.07
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne?
The IUPAC name of 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne (CID 152748914) is 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne.
What is the SMILES notation for 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne?
The canonical SMILES for 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne is Cn1c#[n+]nn1.
What is the InChIKey of 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne?
The InChIKey is AETUPUXCVURXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N4/c1-6-2-3-4-5-6/h1H3/q+1.
What are the key properties of 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne?
1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne has a molecular weight of 83.07 g/mol, XLogP of -1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3-triaza-4-azoniacyclopent-2-en-4-yne is sourced from PubChem (CID 152748914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).