3-deuterio-5-methylpyrazine-2-carbonitrile

C6H5N3 — CID 59374869

IUPAC3-deuterio-5-methylpyrazine-2-carbonitrile
SMILES[2H]c1nc(C)cnc1C#N
InChIInChI=1S/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3/i4D
InChIKeyAYMRPLHDHGMXOF-QYKNYGDISA-N
MW120.13 g/mol
LogP0.66
Rot. Bonds

About 3-deuterio-5-methylpyrazine-2-carbonitrile

3-deuterio-5-methylpyrazine-2-carbonitrile (PubChem CID 59374869) has the molecular formula C6H5N3 and a molecular weight of 120.13 g/mol. Its IUPAC name is 3-deuterio-5-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-deuterio-5-methylpyrazine-2-carbonitrile
PubChem CID59374869
Molecular FormulaC6H5N3
Molecular Weight120.13 g/mol
Exact Mass120.05
IUPAC Name3-deuterio-5-methylpyrazine-2-carbonitrile
SMILES[2H]c1nc(C)cnc1C#N
InChIInChI=1S/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3/i4D
InChIKeyAYMRPLHDHGMXOF-QYKNYGDISA-N
XLogP0.66
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 31252
CID 31252
CID 7938
CID 7938
CID 26808
CID 26808
CID 7976
CID 7976
CID 22201
CID 22201
CID 25915
CID 25915
CID 26331
CID 26331
CID 26332
CID 26332
CID 25797
CID 25797
CID 83101
CID 83101
CID 73172
CID 73172
CID 81303
CID 81303

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-5-methylpyrazine-2-carbonitrile?
The IUPAC name of 3-deuterio-5-methylpyrazine-2-carbonitrile (CID 59374869) is 3-deuterio-5-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-deuterio-5-methylpyrazine-2-carbonitrile?
The canonical SMILES for 3-deuterio-5-methylpyrazine-2-carbonitrile is [2H]c1nc(C)cnc1C#N.
What is the InChIKey of 3-deuterio-5-methylpyrazine-2-carbonitrile?
The InChIKey is AYMRPLHDHGMXOF-QYKNYGDISA-N. The full InChI is InChI=1S/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3/i4D.
What are the key properties of 3-deuterio-5-methylpyrazine-2-carbonitrile?
3-deuterio-5-methylpyrazine-2-carbonitrile has a molecular weight of 120.13 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-5-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 59374869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).