2,2-bis(3-phenylpyrazin-2-yl)acetonitrile

C22H15N5 — CID 67731671

IUPAC2,2-bis(3-phenylpyrazin-2-yl)acetonitrile
SMILESN#CC(c1nccnc1-c1ccccc1)c1nccnc1-c1ccccc1
InChIInChI=1S/C22H15N5/c23-15-18(21-19(24-11-13-26-21)16-7-3-1-4-8-16)22-20(25-12-14-27-22)17-9-5-2-6-10-17/h1-14,18H
InChIKeyPNCNRZCYKUCLJN-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.26
Rot. Bonds4

About 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile

2,2-bis(3-phenylpyrazin-2-yl)acetonitrile (PubChem CID 67731671) has the molecular formula C22H15N5 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2,2-bis(3-phenylpyrazin-2-yl)acetonitrile
PubChem CID67731671
Molecular FormulaC22H15N5
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name2,2-bis(3-phenylpyrazin-2-yl)acetonitrile
SMILESN#CC(c1nccnc1-c1ccccc1)c1nccnc1-c1ccccc1
InChIInChI=1S/C22H15N5/c23-15-18(21-19(24-11-13-26-21)16-7-3-1-4-8-16)22-20(25-12-14-27-22)17-9-5-2-6-10-17/h1-14,18H
InChIKeyPNCNRZCYKUCLJN-UHFFFAOYSA-N
XLogP4.26
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium
CID 159648307
2,3-diphenylpyrazine;pyridine
CID 175017097
2,2-dipyridin-2-ylacetonitrile
CID 14006057
5-phenylpyrazino[2,3-d]pyridazine-8-carbonitrile
CID 162717722
4-(3-phenylpyrazin-2-yl)oxybenzonitrile
CID 69174651
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
bis(acetonitrile);1,1'-biphenyl
CID 175366291
4-phenyl-[1,3]thiazolo[4,5-c]pyridine
CID 140819940
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097394
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645
2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile
CID 15504350

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile?
The IUPAC name of 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile (CID 67731671) is 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile.
What is the SMILES notation for 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile?
The canonical SMILES for 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile is N#CC(c1nccnc1-c1ccccc1)c1nccnc1-c1ccccc1.
What is the InChIKey of 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile?
The InChIKey is PNCNRZCYKUCLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5/c23-15-18(21-19(24-11-13-26-21)16-7-3-1-4-8-16)22-20(25-12-14-27-22)17-9-5-2-6-10-17/h1-14,18H.
What are the key properties of 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile?
2,2-bis(3-phenylpyrazin-2-yl)acetonitrile has a molecular weight of 349.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-phenylpyrazin-2-yl)acetonitrile is sourced from PubChem (CID 67731671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).