3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile

C12H16N4O — CID 63706510

IUPAC3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCCOC1)c1nccnc1C#N
InChIInChI=1S/C12H16N4O/c1-16(8-10-3-2-6-17-9-10)12-11(7-13)14-4-5-15-12/h4-5,10H,2-3,6,8-9H2,1H3
InChIKeyNHAXUUVXTCRCQM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.21
Rot. Bonds3

About 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile

3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile (PubChem CID 63706510) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile
PubChem CID63706510
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCCOC1)c1nccnc1C#N
InChIInChI=1S/C12H16N4O/c1-16(8-10-3-2-6-17-9-10)12-11(7-13)14-4-5-15-12/h4-5,10H,2-3,6,8-9H2,1H3
InChIKeyNHAXUUVXTCRCQM-UHFFFAOYSA-N
XLogP1.21
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile (CID 63706510) is 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile is CN(CC1CCCOC1)c1nccnc1C#N.
What is the InChIKey of 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is NHAXUUVXTCRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(8-10-3-2-6-17-9-10)12-11(7-13)14-4-5-15-12/h4-5,10H,2-3,6,8-9H2,1H3.
What are the key properties of 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile?
3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 63706510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).