5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

C13H12N6OS — CID 80516957

IUPAC5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1cnc(CNC(=O)c2sc3nnccc3c2N)cn1
InChIInChI=1S/C13H12N6OS/c1-7-4-16-8(5-15-7)6-17-12(20)11-10(14)9-2-3-18-19-13(9)21-11/h2-5H,6,14H2,1H3,(H,17,20)
InChIKeyJKYGMWRNQZHUIA-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.30
Rot. Bonds3

About 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80516957) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80516957
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1cnc(CNC(=O)c2sc3nnccc3c2N)cn1
InChIInChI=1S/C13H12N6OS/c1-7-4-16-8(5-15-7)6-17-12(20)11-10(14)9-2-3-18-19-13(9)21-11/h2-5H,6,14H2,1H3,(H,17,20)
InChIKeyJKYGMWRNQZHUIA-UHFFFAOYSA-N
XLogP1.30
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 80516957) is 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is Cc1cnc(CNC(=O)c2sc3nnccc3c2N)cn1.
What is the InChIKey of 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is JKYGMWRNQZHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-7-4-16-8(5-15-7)6-17-12(20)11-10(14)9-2-3-18-19-13(9)21-11/h2-5H,6,14H2,1H3,(H,17,20).
What are the key properties of 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80516957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).