3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile

C15H14N4O — CID 133293405

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CCOc2ccccc21
InChIInChI=1S/C15H14N4O/c16-9-13-15(18-7-6-17-13)19-10-11-5-8-20-14-4-2-1-3-12(11)14/h1-4,6-7,11H,5,8,10H2,(H,18,19)
InChIKeyPXAJEXLJYWZTPV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile

3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile (PubChem CID 133293405) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
PubChem CID133293405
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC1CCOc2ccccc21
InChIInChI=1S/C15H14N4O/c16-9-13-15(18-7-6-17-13)19-10-11-5-8-20-14-4-2-1-3-12(11)14/h1-4,6-7,11H,5,8,10H2,(H,18,19)
InChIKeyPXAJEXLJYWZTPV-UHFFFAOYSA-N
XLogP2.33
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile (CID 133293405) is 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile?
The InChIKey is PXAJEXLJYWZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-13-15(18-7-6-17-13)19-10-11-5-8-20-14-4-2-1-3-12(11)14/h1-4,6-7,11H,5,8,10H2,(H,18,19).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile?
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 133293405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).