3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

C19H22FN5O — CID 31535843

IUPAC3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-7-9-26-10-8-25)15-3-5-16(20)6-4-15/h3-6,18H,7-10,12H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyGZEIICRLENCVGT-GOSISDBHSA-N
MW355.42 g/mol
LogP2.59
Rot. Bonds5

About 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 31535843) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID31535843
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-7-9-26-10-8-25)15-3-5-16(20)6-4-15/h3-6,18H,7-10,12H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyGZEIICRLENCVGT-GOSISDBHSA-N
XLogP2.59
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 31535843) is 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c1C.
What is the InChIKey of 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is GZEIICRLENCVGT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13-14(2)23-24-19(17(13)11-21)22-12-18(25-7-9-26-10-8-25)15-3-5-16(20)6-4-15/h3-6,18H,7-10,12H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 355.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 31535843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).