3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide

C15H26N4S — CID 61378299

IUPAC3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCc1nnc(N(CC(C)C)CC(C)C)c(C(N)=S)c1C
InChIInChI=1S/C15H26N4S/c1-9(2)7-19(8-10(3)4)15-13(14(16)20)11(5)12(6)17-18-15/h9-10H,7-8H2,1-6H3,(H2,16,20)
InChIKeyAYVIENCRGBUZJD-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.85
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide

3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide (PubChem CID 61378299) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
PubChem CID61378299
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCc1nnc(N(CC(C)C)CC(C)C)c(C(N)=S)c1C
InChIInChI=1S/C15H26N4S/c1-9(2)7-19(8-10(3)4)15-13(14(16)20)11(5)12(6)17-18-15/h9-10H,7-8H2,1-6H3,(H2,16,20)
InChIKeyAYVIENCRGBUZJD-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 61377341
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61098045
3-[2-hydroxyethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61426032
5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide
CID 112659783
3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 55008651
5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide
CID 63958918
4-[bis(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054896
5,6-dimethyl-3-propan-2-yloxypyridazine-4-carbothioamide
CID 61097067
N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
CID 136924807
3-[1-(dimethylamino)propan-2-ylamino]-5,6-dimethylpyridazine-4-carbothioamide
CID 82937928
3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 64521356
5,6-dimethyl-3-(4-methylpentan-2-yloxy)pyridazine-4-carbothioamide
CID 61097071

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide (CID 61378299) is 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide is Cc1nnc(N(CC(C)C)CC(C)C)c(C(N)=S)c1C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The InChIKey is AYVIENCRGBUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-9(2)7-19(8-10(3)4)15-13(14(16)20)11(5)12(6)17-18-15/h9-10H,7-8H2,1-6H3,(H2,16,20).
What are the key properties of 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide has a molecular weight of 294.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide is sourced from PubChem (CID 61378299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).