(4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate

C5H9N7O2 — CID 163333059

IUPAC(4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate
SMILESCOc1nnc(NN)c2n[nH]nc12.O
InChIInChI=1S/C5H7N7O.H2O/c1-13-5-3-2(8-12-9-3)4(7-6)10-11-5;/h6H2,1H3,(H,7,10)(H,8,9,12);1H2
InChIKeySAYKIHGLYQYLPZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.78
Rot. Bonds2

About (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate

(4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate (PubChem CID 163333059) has the molecular formula C5H9N7O2 and a molecular weight of 199.17 g/mol. Its IUPAC name is (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate.

Molecular Properties

Compound Name(4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate
PubChem CID163333059
Molecular FormulaC5H9N7O2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name(4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate
SMILESCOc1nnc(NN)c2n[nH]nc12.O
InChIInChI=1S/C5H7N7O.H2O/c1-13-5-3-2(8-12-9-3)4(7-6)10-11-5;/h6H2,1H3,(H,7,10)(H,8,9,12);1H2
InChIKeySAYKIHGLYQYLPZ-UHFFFAOYSA-N
XLogP-1.78
TPSA146.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate?
The IUPAC name of (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate (CID 163333059) is (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate.
What is the SMILES notation for (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate?
The canonical SMILES for (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate is COc1nnc(NN)c2n[nH]nc12.O.
What is the InChIKey of (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate?
The InChIKey is SAYKIHGLYQYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7O.H2O/c1-13-5-3-2(8-12-9-3)4(7-6)10-11-5;/h6H2,1H3,(H,7,10)(H,8,9,12);1H2.
What are the key properties of (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate?
(4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate has a molecular weight of 199.17 g/mol, XLogP of -1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2H-triazolo[4,5-d]pyridazin-7-yl)hydrazine;hydrate is sourced from PubChem (CID 163333059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).