2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium

C6H8N3+ — CID 57072492

IUPAC2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
SMILESc1cc[n+]2c(c1)NNC2
InChIInChI=1S/C6H7N3/c1-2-4-9-5-7-8-6(9)3-1/h1-4,7H,5H2/p+1
InChIKeyRMBMYDQNLFKZNV-UHFFFAOYSA-O
MW122.15 g/mol
LogP-0.14
Rot. Bonds

About 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium

2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium (PubChem CID 57072492) has the molecular formula C6H8N3+ and a molecular weight of 122.15 g/mol. Its IUPAC name is 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium.

Molecular Properties

Compound Name2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
PubChem CID57072492
Molecular FormulaC6H8N3+
Molecular Weight122.15 g/mol
Exact Mass122.07
IUPAC Name2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
SMILESc1cc[n+]2c(c1)NNC2
InChIInChI=1S/C6H7N3/c1-2-4-9-5-7-8-6(9)3-1/h1-4,7H,5H2/p+1
InChIKeyRMBMYDQNLFKZNV-UHFFFAOYSA-O
XLogP-0.14
TPSA27.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium?
The IUPAC name of 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium (CID 57072492) is 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium.
What is the SMILES notation for 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium?
The canonical SMILES for 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium is c1cc[n+]2c(c1)NNC2.
What is the InChIKey of 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium?
The InChIKey is RMBMYDQNLFKZNV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N3/c1-2-4-9-5-7-8-6(9)3-1/h1-4,7H,5H2/p+1.
What are the key properties of 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium?
2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium has a molecular weight of 122.15 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium is sourced from PubChem (CID 57072492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).