5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile

C14H18N6 — CID 80509479

IUPAC5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2cnn(CC)c2)c(C#N)c1CC
InChIInChI=1S/C14H18N6/c1-4-11-12(7-15)14(19-18-13(11)5-2)17-10-8-16-20(6-3)9-10/h8-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyNSFODCNRPRNGHR-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.43
Rot. Bonds5

About 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80509479) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
PubChem CID80509479
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(Nc2cnn(CC)c2)c(C#N)c1CC
InChIInChI=1S/C14H18N6/c1-4-11-12(7-15)14(19-18-13(11)5-2)17-10-8-16-20(6-3)9-10/h8-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyNSFODCNRPRNGHR-UHFFFAOYSA-N
XLogP2.43
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide
CID 133360496
3-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-5,6-diethylpyridazine-4-carbonitrile
CID 133377207
3-(3-bromo-4-methylanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504590
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
CID 80514429
methyl N-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]-N-methylcarbamate
CID 133360147
3-(4-bromo-2-fluoroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508420
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
N-[[3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]phenyl]methyl]-N-methylacetamide
CID 75379454
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
3-(4-chloro-2-methylanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508584
3-(2-bromo-3-chloroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 103479532
N,1-diethylpyrazol-4-amine
CID 43543394

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile (CID 80509479) is 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile is CCc1nnc(Nc2cnn(CC)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is NSFODCNRPRNGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-11-12(7-15)14(19-18-13(11)5-2)17-10-8-16-20(6-3)9-10/h8-9H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).