3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile

C15H14N4O — CID 71981397

IUPAC3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCOC1c1ccccc1
InChIInChI=1S/C15H14N4O/c16-10-13-15(18-8-7-17-13)19-12-6-9-20-14(12)11-4-2-1-3-5-11/h1-5,7-8,12,14H,6,9H2,(H,18,19)
InChIKeyZPYHDUCLLJJFMT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.29
Rot. Bonds3

About 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile

3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 71981397) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID71981397
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCOC1c1ccccc1
InChIInChI=1S/C15H14N4O/c16-10-13-15(18-8-7-17-13)19-12-6-9-20-14(12)11-4-2-1-3-5-11/h1-5,7-8,12,14H,6,9H2,(H,18,19)
InChIKeyZPYHDUCLLJJFMT-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile (CID 71981397) is 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile is N#Cc1nccnc1NC1CCOC1c1ccccc1.
What is the InChIKey of 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is ZPYHDUCLLJJFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-10-13-15(18-8-7-17-13)19-12-6-9-20-14(12)11-4-2-1-3-5-11/h1-5,7-8,12,14H,6,9H2,(H,18,19).
What are the key properties of 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile?
3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyloxolan-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71981397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).