4-methyltetrazolo[1,5-a]pyridin-4-ium

C6H7N4+ — CID 123527722

IUPAC4-methyltetrazolo[1,5-a]pyridin-4-ium
SMILESC[N+]12C=CC=CC1=NN=N2
InChIInChI=1S/C6H7N4/c1-10-5-3-2-4-6(10)7-8-9-10/h2-5H,1H3/q+1
InChIKeyOSMJCUNCTDWSLP-UHFFFAOYSA-N
MW135.15 g/mol
LogP1.21
Rot. Bonds

About 4-methyltetrazolo[1,5-a]pyridin-4-ium

4-methyltetrazolo[1,5-a]pyridin-4-ium (PubChem CID 123527722) has the molecular formula C6H7N4+ and a molecular weight of 135.15 g/mol. Its IUPAC name is 4-methyltetrazolo[1,5-a]pyridin-4-ium.

Molecular Properties

Compound Name4-methyltetrazolo[1,5-a]pyridin-4-ium
PubChem CID123527722
Molecular FormulaC6H7N4+
Molecular Weight135.15 g/mol
Exact Mass135.07
IUPAC Name4-methyltetrazolo[1,5-a]pyridin-4-ium
SMILESC[N+]12C=CC=CC1=NN=N2
InChIInChI=1S/C6H7N4/c1-10-5-3-2-4-6(10)7-8-9-10/h2-5H,1H3/q+1
InChIKeyOSMJCUNCTDWSLP-UHFFFAOYSA-N
XLogP1.21
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyltetrazolo[1,5-a]pyridin-4-ium?
The IUPAC name of 4-methyltetrazolo[1,5-a]pyridin-4-ium (CID 123527722) is 4-methyltetrazolo[1,5-a]pyridin-4-ium.
What is the SMILES notation for 4-methyltetrazolo[1,5-a]pyridin-4-ium?
The canonical SMILES for 4-methyltetrazolo[1,5-a]pyridin-4-ium is C[N+]12C=CC=CC1=NN=N2.
What is the InChIKey of 4-methyltetrazolo[1,5-a]pyridin-4-ium?
The InChIKey is OSMJCUNCTDWSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N4/c1-10-5-3-2-4-6(10)7-8-9-10/h2-5H,1H3/q+1.
What are the key properties of 4-methyltetrazolo[1,5-a]pyridin-4-ium?
4-methyltetrazolo[1,5-a]pyridin-4-ium has a molecular weight of 135.15 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltetrazolo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 123527722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).