3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine

C8H12N7+ — CID 11034967

IUPAC3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine
SMILESC[n+]1ccc(-c2nnc(NN)n2N)cc1
InChIInChI=1S/C8H11N7/c1-14-4-2-6(3-5-14)7-12-13-8(11-9)15(7)10/h2-5H,10H2,1H3,(H2,9,12)/p+1
InChIKeyXBJFVYIRMCSTNQ-UHFFFAOYSA-O
MW206.23 g/mol
LogP-1.23
Rot. Bonds2

About 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine

3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine (PubChem CID 11034967) has the molecular formula C8H12N7+ and a molecular weight of 206.23 g/mol. Its IUPAC name is 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine
PubChem CID11034967
Molecular FormulaC8H12N7+
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine
SMILESC[n+]1ccc(-c2nnc(NN)n2N)cc1
InChIInChI=1S/C8H11N7/c1-14-4-2-6(3-5-14)7-12-13-8(11-9)15(7)10/h2-5H,10H2,1H3,(H2,9,12)/p+1
InChIKeyXBJFVYIRMCSTNQ-UHFFFAOYSA-O
XLogP-1.23
TPSA98.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine (CID 11034967) is 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine is C[n+]1ccc(-c2nnc(NN)n2N)cc1.
What is the InChIKey of 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine?
The InChIKey is XBJFVYIRMCSTNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N7/c1-14-4-2-6(3-5-14)7-12-13-8(11-9)15(7)10/h2-5H,10H2,1H3,(H2,9,12)/p+1.
What are the key properties of 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine?
3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine has a molecular weight of 206.23 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-(1-methylpyridin-1-ium-4-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 11034967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).