5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile

C16H17FN4 — CID 133486030

IUPAC5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
SMILESCC(C)(C)C(Nc1cnc(C#N)cn1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4/c1-16(2,3)15(11-5-4-6-12(17)7-11)21-14-10-19-13(8-18)9-20-14/h4-7,9-10,15H,1-3H3,(H,20,21)
InChIKeyDHXPCOIAGMQRAJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.69
Rot. Bonds3

About 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile

5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile (PubChem CID 133486030) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
PubChem CID133486030
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
SMILESCC(C)(C)C(Nc1cnc(C#N)cn1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4/c1-16(2,3)15(11-5-4-6-12(17)7-11)21-14-10-19-13(8-18)9-20-14/h4-7,9-10,15H,1-3H3,(H,20,21)
InChIKeyDHXPCOIAGMQRAJ-UHFFFAOYSA-N
XLogP3.69
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419393
2-[[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]acetonitrile
CID 97334665
6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
CID 133419364
5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile
CID 133484635
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419948
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
CID 105265494
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133485202

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile (CID 133486030) is 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile is CC(C)(C)C(Nc1cnc(C#N)cn1)c1cccc(F)c1.
What is the InChIKey of 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile?
The InChIKey is DHXPCOIAGMQRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-16(2,3)15(11-5-4-6-12(17)7-11)21-14-10-19-13(8-18)9-20-14/h4-7,9-10,15H,1-3H3,(H,20,21).
What are the key properties of 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile?
5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133486030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).