5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile

C14H20N4O2 — CID 102562655

IUPAC5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESCCOC1CC(O)(CNc2cnc(C#N)cn2)C1(C)C
InChIInChI=1S/C14H20N4O2/c1-4-20-11-5-14(19,13(11,2)3)9-18-12-8-16-10(6-15)7-17-12/h7-8,11,19H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyBTINJJVUWBCNOI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.33
Rot. Bonds5

About 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile

5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 102562655) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
PubChem CID102562655
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESCCOC1CC(O)(CNc2cnc(C#N)cn2)C1(C)C
InChIInChI=1S/C14H20N4O2/c1-4-20-11-5-14(19,13(11,2)3)9-18-12-8-16-10(6-15)7-17-12/h7-8,11,19H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyBTINJJVUWBCNOI-UHFFFAOYSA-N
XLogP1.33
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
1-[[(3-chloro-4-pyridinyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 166205556
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile
CID 133484797
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
5-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carbonitrile
CID 104917594
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
CID 129401810
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
CID 99834377
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile (CID 102562655) is 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile is CCOC1CC(O)(CNc2cnc(C#N)cn2)C1(C)C.
What is the InChIKey of 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is BTINJJVUWBCNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-20-11-5-14(19,13(11,2)3)9-18-12-8-16-10(6-15)7-17-12/h7-8,11,19H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile?
5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 102562655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).