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

C13H17N5O2S — CID 106918359

IUPAC5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C13H17N5O2S/c1-7(11(19)15-2)6-18(3)13(20)10-9(14)8-4-5-16-17-12(8)21-10/h4-5,7H,6,14H2,1-3H3,(H,15,19)
InChIKeyNDHLZVPXQASWIU-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.73
Rot. Bonds4

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

5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 106918359) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID106918359
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C13H17N5O2S/c1-7(11(19)15-2)6-18(3)13(20)10-9(14)8-4-5-16-17-12(8)21-10/h4-5,7H,6,14H2,1-3H3,(H,15,19)
InChIKeyNDHLZVPXQASWIU-UHFFFAOYSA-N
XLogP0.73
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 106918359) is 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide is CNC(=O)C(C)CN(C)C(=O)c1sc2nnccc2c1N.
What is the InChIKey of 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is NDHLZVPXQASWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-7(11(19)15-2)6-18(3)13(20)10-9(14)8-4-5-16-17-12(8)21-10/h4-5,7H,6,14H2,1-3H3,(H,15,19).
What are the key properties of 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 106918359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).