5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide

C7H7N4OPS — CID 134502811

IUPAC5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NP)sc2nnccc12
InChIInChI=1S/C7H7N4OPS/c8-4-3-1-2-9-10-7(3)14-5(4)6(12)11-13/h1-2H,8,13H2,(H,11,12)
InChIKeyJKEOBZANVVQESJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.79
Rot. Bonds1

About 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 134502811) has the molecular formula C7H7N4OPS and a molecular weight of 226.20 g/mol. Its IUPAC name is 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
PubChem CID134502811
Molecular FormulaC7H7N4OPS
Molecular Weight226.20 g/mol
Exact Mass226.01
IUPAC Name5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NP)sc2nnccc12
InChIInChI=1S/C7H7N4OPS/c8-4-3-1-2-9-10-7(3)14-5(4)6(12)11-13/h1-2H,8,13H2,(H,11,12)
InChIKeyJKEOBZANVVQESJ-UHFFFAOYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-(4-ethylphenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514678
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515473
5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515622
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519243

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide (CID 134502811) is 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)NP)sc2nnccc12.
What is the InChIKey of 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is JKEOBZANVVQESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4OPS/c8-4-3-1-2-9-10-7(3)14-5(4)6(12)11-13/h1-2H,8,13H2,(H,11,12).
What are the key properties of 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 134502811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).