3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile

C14H12N4 — CID 62685726

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
SMILESCC1Cc2ccccc2N1c1nccnc1C#N
InChIInChI=1S/C14H12N4/c1-10-8-11-4-2-3-5-13(11)18(10)14-12(9-15)16-6-7-17-14/h2-7,10H,8H2,1H3
InChIKeyXVSFPQHFXXKVFJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.43
Rot. Bonds1

About 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile

3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile (PubChem CID 62685726) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
PubChem CID62685726
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
SMILESCC1Cc2ccccc2N1c1nccnc1C#N
InChIInChI=1S/C14H12N4/c1-10-8-11-4-2-3-5-13(11)18(10)14-12(9-15)16-6-7-17-14/h2-7,10H,8H2,1H3
InChIKeyXVSFPQHFXXKVFJ-UHFFFAOYSA-N
XLogP2.43
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile (CID 62685726) is 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile is CC1Cc2ccccc2N1c1nccnc1C#N.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
The InChIKey is XVSFPQHFXXKVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-10-8-11-4-2-3-5-13(11)18(10)14-12(9-15)16-6-7-17-14/h2-7,10H,8H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile?
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 62685726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).