3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C13H16N6 — CID 103908152

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nn(C)cc1Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H16N6/c1-5-11-12(7-19(4)18-11)15-13-10(6-14)8(2)9(3)16-17-13/h7H,5H2,1-4H3,(H,15,17)
InChIKeyXRFUTPQSTDWEDP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds3

About 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 103908152) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID103908152
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nn(C)cc1Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C13H16N6/c1-5-11-12(7-19(4)18-11)15-13-10(6-14)8(2)9(3)16-17-13/h7H,5H2,1-4H3,(H,15,17)
InChIKeyXRFUTPQSTDWEDP-UHFFFAOYSA-N
XLogP2.00
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylphthalazin-1-amine
CID 103908129
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylsulfanylbenzonitrile
CID 107463227
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
CID 107464313
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 107462194
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile
CID 107463239
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
3-(4-bromo-2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096439
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 103908152) is 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile is CCc1nn(C)cc1Nc1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is XRFUTPQSTDWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-5-11-12(7-19(4)18-11)15-13-10(6-14)8(2)9(3)16-17-13/h7H,5H2,1-4H3,(H,15,17).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 103908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).