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

C14H16N4OS — CID 80514656

IUPAC5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC(C2CC2)C2CC2)sc2nnccc12
InChIInChI=1S/C14H16N4OS/c15-10-9-5-6-16-18-14(9)20-12(10)13(19)17-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4,15H2,(H,17,19)
InChIKeyROTOKVPDNQQYFC-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.19
Rot. Bonds4

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

5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 80514656) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID80514656
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESNc1c(C(=O)NC(C2CC2)C2CC2)sc2nnccc12
InChIInChI=1S/C14H16N4OS/c15-10-9-5-6-16-18-14(9)20-12(10)13(19)17-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4,15H2,(H,17,19)
InChIKeyROTOKVPDNQQYFC-UHFFFAOYSA-N
XLogP2.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-phosphanylthieno[2,3-c]pyridazine-6-carboxamide
CID 134502811
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515473
5-amino-N-(4-methylhexan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519146
5-amino-N-heptan-2-ylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519265
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519309
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
5-amino-N-(2-methylcyclopentyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519255
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
5-amino-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80514556
5-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107855028

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 80514656) is 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is Nc1c(C(=O)NC(C2CC2)C2CC2)sc2nnccc12.
What is the InChIKey of 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is ROTOKVPDNQQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-10-9-5-6-16-18-14(9)20-12(10)13(19)17-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4,15H2,(H,17,19).
What are the key properties of 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 80514656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).