5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile

C11H14N4O — CID 104918166

IUPAC5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESCOC1(CNc2cnc(C#N)cn2)CCC1
InChIInChI=1S/C11H14N4O/c1-16-11(3-2-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyPRYCGFYOOSGTBU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.33
Rot. Bonds4

About 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile

5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 104918166) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
PubChem CID104918166
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESCOC1(CNc2cnc(C#N)cn2)CCC1
InChIInChI=1S/C11H14N4O/c1-16-11(3-2-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyPRYCGFYOOSGTBU-UHFFFAOYSA-N
XLogP1.33
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
CID 154778748
1-[(5-cyanopyrazin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164784
5-[(2-ethoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 114942435
5-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 102562655
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
6-ethoxy-N-[(1-methoxycyclobutyl)methyl]pyridin-2-amine
CID 114119681

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile (CID 104918166) is 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile is COC1(CNc2cnc(C#N)cn2)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is PRYCGFYOOSGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-11(3-2-4-11)8-15-10-7-13-9(5-12)6-14-10/h6-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104918166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).