1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide

C11H15N7O — CID 66284380

IUPAC1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C11H15N7O/c12-10(13)7-3-5-17(6-4-7)9-2-1-8-14-15-11(19)18(8)16-9/h1-2,7H,3-6H2,(H3,12,13)(H,15,19)
InChIKeyVQPKTGPICQVDKQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.43
Rot. Bonds2

About 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide

1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide (PubChem CID 66284380) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide
PubChem CID66284380
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C11H15N7O/c12-10(13)7-3-5-17(6-4-7)9-2-1-8-14-15-11(19)18(8)16-9/h1-2,7H,3-6H2,(H3,12,13)(H,15,19)
InChIKeyVQPKTGPICQVDKQ-UHFFFAOYSA-N
XLogP-0.43
TPSA116.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide?
The IUPAC name of 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide (CID 66284380) is 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(c2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide?
The InChIKey is VQPKTGPICQVDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-10(13)7-3-5-17(6-4-7)9-2-1-8-14-15-11(19)18(8)16-9/h1-2,7H,3-6H2,(H3,12,13)(H,15,19).
What are the key properties of 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide?
1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 66284380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).