5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

C14H19N5OS — CID 80514556

IUPAC5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCN1CCC(CNC(=O)c2sc3nnccc3c2N)CC1
InChIInChI=1S/C14H19N5OS/c1-19-6-3-9(4-7-19)8-16-13(20)12-11(15)10-2-5-17-18-14(10)21-12/h2,5,9H,3-4,6-8,15H2,1H3,(H,16,20)
InChIKeyRFTBUORIFWCJBZ-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.35
Rot. Bonds3

About 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80514556) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80514556
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
SMILESCN1CCC(CNC(=O)c2sc3nnccc3c2N)CC1
InChIInChI=1S/C14H19N5OS/c1-19-6-3-9(4-7-19)8-16-13(20)12-11(15)10-2-5-17-18-14(10)21-12/h2,5,9H,3-4,6-8,15H2,1H3,(H,16,20)
InChIKeyRFTBUORIFWCJBZ-UHFFFAOYSA-N
XLogP1.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(cyclohex-3-en-1-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519091
5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
5-amino-N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(cyclopropylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide
CID 160823722
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656
5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80519173
5-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80690837
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide (CID 80514556) is 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is CN1CCC(CNC(=O)c2sc3nnccc3c2N)CC1.
What is the InChIKey of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is RFTBUORIFWCJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19-6-3-9(4-7-19)8-16-13(20)12-11(15)10-2-5-17-18-14(10)21-12/h2,5,9H,3-4,6-8,15H2,1H3,(H,16,20).
What are the key properties of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80514556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).