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

C17H17FN4O — CID 36726887

IUPAC3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C
InChIInChI=1S/C17H17FN4O/c1-11-12(2)20-21-17(15(11)9-19)22-7-8-23-16(10-22)13-3-5-14(18)6-4-13/h3-6,16H,7-8,10H2,1-2H3/t16-/m1/s1
InChIKeyFTYHANDINKEMNW-MRXNPFEDSA-N
MW312.35 g/mol
LogP2.68
Rot. Bonds2

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

3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 36726887) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID36726887
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C
InChIInChI=1S/C17H17FN4O/c1-11-12(2)20-21-17(15(11)9-19)22-7-8-23-16(10-22)13-3-5-14(18)6-4-13/h3-6,16H,7-8,10H2,1-2H3/t16-/m1/s1
InChIKeyFTYHANDINKEMNW-MRXNPFEDSA-N
XLogP2.68
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(Methoxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 34002514
3-[2-(4-Bromophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 47077214
3-[[2-(2-Fluorophenyl)-2-hydroxyethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 45881032
6-[Methyl(3-phenylmethoxypropyl)amino]pyridazine-3-carbonitrile
CID 100685733
3-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine
CID 71083364
2-(4-Methoxyphenyl)-2-(6-morpholin-4-ylpyridazin-3-yl)acetonitrile
CID 42624820
3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535843
3-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535844
3-[2-(2-Fluorophenoxy)ethyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31536858
5,6-Dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]pyridazine-4-carbonitrile
CID 36628538
3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 36726888
3-[2-(4-Fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 45808705

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 36726887) is 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is FTYHANDINKEMNW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-12(2)20-21-17(15(11)9-19)22-7-8-23-16(10-22)13-3-5-14(18)6-4-13/h3-6,16H,7-8,10H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 312.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 36726887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).