3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium

C8H10N3+ — CID 58047087

IUPAC3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
SMILESCC1=C[N+]2=NN=C(C)C2C=C1
InChIInChI=1S/C8H10N3/c1-6-3-4-8-7(2)9-10-11(8)5-6/h3-5,8H,1-2H3/q+1
InChIKeyMVQZIJYOTYTKLP-UHFFFAOYSA-N
MW148.19 g/mol
LogP1.68
Rot. Bonds

About 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium

3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium (PubChem CID 58047087) has the molecular formula C8H10N3+ and a molecular weight of 148.19 g/mol. Its IUPAC name is 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium.

Molecular Properties

Compound Name3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
PubChem CID58047087
Molecular FormulaC8H10N3+
Molecular Weight148.19 g/mol
Exact Mass148.09
IUPAC Name3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
SMILESCC1=C[N+]2=NN=C(C)C2C=C1
InChIInChI=1S/C8H10N3/c1-6-3-4-8-7(2)9-10-11(8)5-6/h3-5,8H,1-2H3/q+1
InChIKeyMVQZIJYOTYTKLP-UHFFFAOYSA-N
XLogP1.68
TPSA27.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 129814279
1-(4-diazocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
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3,5-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium
CID 58047025
1-diazo-8aH-indolizine
CID 88198473
5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-4H-triazole
CID 89729964
5-methyl-4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-4H-triazole
CID 89729966
6-Methyl-2,7-dihydropyrrolo[2,3-c]pyridine
CID 123364728
2,5-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 123536790
5,6-dimethyl-3aH-benzotriazole
CID 152747228
2,4-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 166964323
3-tert-butyl-5-methyl-3aH-triazolo[1,5-a]pyridin-8-ium
CID 157789399

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium?
The IUPAC name of 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium (CID 58047087) is 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium.
What is the SMILES notation for 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium?
The canonical SMILES for 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium is CC1=C[N+]2=NN=C(C)C2C=C1.
What is the InChIKey of 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium?
The InChIKey is MVQZIJYOTYTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3/c1-6-3-4-8-7(2)9-10-11(8)5-6/h3-5,8H,1-2H3/q+1.
What are the key properties of 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium?
3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium has a molecular weight of 148.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3aH-triazolo[1,5-a]pyridin-8-ium is sourced from PubChem (CID 58047087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).