3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide

C12H16N6S — CID 61098256

IUPAC3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCCn1cc(Nc2nnc(C)c(C)c2C(N)=S)cn1
InChIInChI=1S/C12H16N6S/c1-4-18-6-9(5-14-18)15-12-10(11(13)19)7(2)8(3)16-17-12/h5-6H,4H2,1-3H3,(H2,13,19)(H,15,17)
InChIKeyDQVJRKWBKUOPKP-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.69
Rot. Bonds4

About 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide

3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide (PubChem CID 61098256) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide
PubChem CID61098256
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide
SMILESCCn1cc(Nc2nnc(C)c(C)c2C(N)=S)cn1
InChIInChI=1S/C12H16N6S/c1-4-18-6-9(5-14-18)15-12-10(11(13)19)7(2)8(3)16-17-12/h5-6H,4H2,1-3H3,(H2,13,19)(H,15,17)
InChIKeyDQVJRKWBKUOPKP-UHFFFAOYSA-N
XLogP1.69
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-3-(4-propylanilino)pyridazine-4-carbothioamide
CID 63520115
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79375656
N-(1-ethylpyrazol-4-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43543730
5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
CID 80509479
N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617
N,1-diethylpyrazol-4-amine
CID 43543394
4-(1-ethylpyrazol-4-yl)oxy-2,6-dimethylpyridine-3-carbothioamide
CID 116801309
N-(1-ethylpyrazol-4-yl)-3-fluoropyridin-2-amine
CID 62732475
3-(2,3-dimethylbutylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 64598722
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 80569285
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide (CID 61098256) is 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide is CCn1cc(Nc2nnc(C)c(C)c2C(N)=S)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
The InChIKey is DQVJRKWBKUOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-4-18-6-9(5-14-18)15-12-10(11(13)19)7(2)8(3)16-17-12/h5-6H,4H2,1-3H3,(H2,13,19)(H,15,17).
What are the key properties of 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide?
3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide has a molecular weight of 276.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbothioamide is sourced from PubChem (CID 61098256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).