2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C11H11N7S — CID 112750723

IUPAC2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESNNc1nc(NCc2cccnn2)c2sccc2n1
InChIInChI=1S/C11H11N7S/c12-17-11-15-8-3-5-19-9(8)10(16-11)13-6-7-2-1-4-14-18-7/h1-5H,6,12H2,(H2,13,15,16,17)
InChIKeyJYQYNLXWICKYIL-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.38
Rot. Bonds4

About 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 112750723) has the molecular formula C11H11N7S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID112750723
Molecular FormulaC11H11N7S
Molecular Weight273.32 g/mol
Exact Mass273.08
IUPAC Name2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESNNc1nc(NCc2cccnn2)c2sccc2n1
InChIInChI=1S/C11H11N7S/c12-17-11-15-8-3-5-19-9(8)10(16-11)13-6-7-2-1-4-14-18-7/h1-5H,6,12H2,(H2,13,15,16,17)
InChIKeyJYQYNLXWICKYIL-UHFFFAOYSA-N
XLogP1.38
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 112750723) is 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is NNc1nc(NCc2cccnn2)c2sccc2n1.
What is the InChIKey of 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JYQYNLXWICKYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7S/c12-17-11-15-8-3-5-19-9(8)10(16-11)13-6-7-2-1-4-14-18-7/h1-5H,6,12H2,(H2,13,15,16,17).
What are the key properties of 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 273.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(pyridazin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 112750723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).