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

C13H17N5OS — CID 80519119

IUPAC5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC2CCCCC2N)sc2nnccc12
InChIInChI=1S/C13H17N5OS/c14-8-3-1-2-4-9(8)17-12(19)11-10(15)7-5-6-16-18-13(7)20-11/h5-6,8-9H,1-4,14-15H2,(H,17,19)
InChIKeyDOIRNIBDEWIMSZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.27
Rot. Bonds2

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

5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80519119) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80519119
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC2CCCCC2N)sc2nnccc12
InChIInChI=1S/C13H17N5OS/c14-8-3-1-2-4-9(8)17-12(19)11-10(15)7-5-6-16-18-13(7)20-11/h5-6,8-9H,1-4,14-15H2,(H,17,19)
InChIKeyDOIRNIBDEWIMSZ-UHFFFAOYSA-N
XLogP1.27
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80519119) is 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)NC2CCCCC2N)sc2nnccc12.
What is the InChIKey of 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is DOIRNIBDEWIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c14-8-3-1-2-4-9(8)17-12(19)11-10(15)7-5-6-16-18-13(7)20-11/h5-6,8-9H,1-4,14-15H2,(H,17,19).
What are the key properties of 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80519119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).