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

C35H40N12O3S3 — CID 160823722

IUPAC5-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
SMILESCc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCC3CC3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12
InChIInChI=1S/C13H16N4OS.C12H14N4OS.C10H10N4OS/c1-6-7(2)16-17-13-9(6)10(14)11(19-13)12(18)15-5-8-3-4-8;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h8H,3-5,14H2,1-2H3,(H,15,18);7H,3-4,13H2,1-2H3,(H,14,17);3-5H,1-2,11H2,(H,13,15)
InChIKeySFWNHEWOMZSPAR-UHFFFAOYSA-N
MW772.99 g/mol
LogP4.98
Rot. Bonds7

About 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

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 (PubChem CID 160823722) has the molecular formula C35H40N12O3S3 and a molecular weight of 772.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID160823722
Molecular FormulaC35H40N12O3S3
Molecular Weight772.99 g/mol
Exact Mass772.25
IUPAC Name5-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
SMILESCc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCC3CC3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12
InChIInChI=1S/C13H16N4OS.C12H14N4OS.C10H10N4OS/c1-6-7(2)16-17-13-9(6)10(14)11(19-13)12(18)15-5-8-3-4-8;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h8H,3-5,14H2,1-2H3,(H,15,18);7H,3-4,13H2,1-2H3,(H,14,17);3-5H,1-2,11H2,(H,13,15)
InChIKeySFWNHEWOMZSPAR-UHFFFAOYSA-N
XLogP4.98
TPSA242.70 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500772.99
LogP ≤ 54.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

5-amino-3,4-dimethyl-N-[(4-pyridazin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137633999
5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide
CID 80518162
5-amino-1-[[5-amino-6-(3-cyclohexylazetidine-1-carbonyl)-3-methylthieno[2,3-c]pyridazin-4-yl]methyl]-3,4-dimethyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazin-1-ium-6-carboxamide
CID 123561689
5-amino-1-[[5-amino-3-methyl-6-[(2-methyl-4-pyridinyl)carbamoyl]thieno[2,3-c]pyridazin-4-yl]methyl]-N-cyclopentyl-3,4-dimethylthieno[2,3-c]pyridazin-1-ium-6-carboxamide
CID 124032644
5-amino-N-[[5-[[2-[3-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)amino]pyrrolidin-1-yl]phenyl]methyl]-2-pyridinyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 126496329
5-amino-3,4-dimethyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide;(5-amino-3-ethyl-4-methylthieno[2,3-c]pyridazin-6-yl)-(3-cyclohexylazetidin-1-yl)methanone
CID 145628327
5-amino-3,4-dimethyl-N-[2-(4-methylsulfonylphenyl)cyclopropyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 157855153
N-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclopropyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide;N,5-dicyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 159360619
N-cyclobutyl-5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 160784384
5-amino-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514382
5-amino-N-ethyl-N-piperidin-4-ylthieno[2,3-c]pyridazine-6-carboxamide
CID 80514412
5-amino-N-(2-ethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514443

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2sc(C(=O)NC3CC3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCC3CC3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12.
What is the InChIKey of 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?
The InChIKey is SFWNHEWOMZSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS.C12H14N4OS.C10H10N4OS/c1-6-7(2)16-17-13-9(6)10(14)11(19-13)12(18)15-5-8-3-4-8;1-5-6(2)15-16-12-8(5)9(13)10(18-12)11(17)14-7-3-4-7;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h8H,3-5,14H2,1-2H3,(H,15,18);7H,3-4,13H2,1-2H3,(H,14,17);3-5H,1-2,11H2,(H,13,15).
What are the key properties of 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?
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 has a molecular weight of 772.99 g/mol, XLogP of 4.98, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160823722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).