2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium

C6H10N3+ — CID 58070772

IUPAC2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium
SMILESCc1c[n+]2n(n1)CCC2
InChIInChI=1S/C6H10N3/c1-6-5-8-3-2-4-9(8)7-6/h5H,2-4H2,1H3/q+1
InChIKeyBQAVAVDCXVFSFY-UHFFFAOYSA-N
MW124.17 g/mol
LogP-0.12
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium

2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium (PubChem CID 58070772) has the molecular formula C6H10N3+ and a molecular weight of 124.17 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium
PubChem CID58070772
Molecular FormulaC6H10N3+
Molecular Weight124.17 g/mol
Exact Mass124.09
IUPAC Name2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium
SMILESCc1c[n+]2n(n1)CCC2
InChIInChI=1S/C6H10N3/c1-6-5-8-3-2-4-9(8)7-6/h5H,2-4H2,1H3/q+1
InChIKeyBQAVAVDCXVFSFY-UHFFFAOYSA-N
XLogP-0.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 5-0.12
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium?
The IUPAC name of 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium (CID 58070772) is 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium is Cc1c[n+]2n(n1)CCC2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium?
The InChIKey is BQAVAVDCXVFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3/c1-6-5-8-3-2-4-9(8)7-6/h5H,2-4H2,1H3/q+1.
What are the key properties of 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium?
2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium has a molecular weight of 124.17 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]triazol-4-ium is sourced from PubChem (CID 58070772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).