3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide

C14H20N4S — CID 64521356

IUPAC3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCc1nnc(N(CC2CC2)C2CC2)c(C(N)=S)c1C
InChIInChI=1S/C14H20N4S/c1-8-9(2)16-17-14(12(8)13(15)19)18(11-5-6-11)7-10-3-4-10/h10-11H,3-7H2,1-2H3,(H2,15,19)
InChIKeyOTFNTYLVCPTXIM-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.11
Rot. Bonds5

About 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide

3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide (PubChem CID 64521356) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
PubChem CID64521356
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCc1nnc(N(CC2CC2)C2CC2)c(C(N)=S)c1C
InChIInChI=1S/C14H20N4S/c1-8-9(2)16-17-14(12(8)13(15)19)18(11-5-6-11)7-10-3-4-10/h10-11H,3-7H2,1-2H3,(H2,15,19)
InChIKeyOTFNTYLVCPTXIM-UHFFFAOYSA-N
XLogP2.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.11
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-carbothioamide
CID 61378299
3-[(1,1-dioxothiolan-3-yl)-methylamino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61098646
3-[2-hydroxyethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61426032
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61098045
5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide
CID 63958918
2-chloro-6-[cyclopropyl(cyclopropylmethyl)amino]benzenecarbothioamide
CID 64521753
2-[cyclopropyl(cyclopropylmethyl)amino]-5-methylbenzenecarbothioamide
CID 107929043
5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide
CID 112659783
5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide
CID 64520758
N-cyclopropyl-N-(cyclopropylmethyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80917857
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbothioamide
CID 102781113
6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbothioamide
CID 64593935

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide (CID 64521356) is 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide.
What is the SMILES notation for 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The canonical SMILES for 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide is Cc1nnc(N(CC2CC2)C2CC2)c(C(N)=S)c1C.
What is the InChIKey of 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The InChIKey is OTFNTYLVCPTXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-8-9(2)16-17-14(12(8)13(15)19)18(11-5-6-11)7-10-3-4-10/h10-11H,3-7H2,1-2H3,(H2,15,19).
What are the key properties of 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide has a molecular weight of 276.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide is sourced from PubChem (CID 64521356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).