1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile

C15H12N6 — CID 126900803

IUPAC1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(c3cnc4ccccc4n3)C2)c1
InChIInChI=1S/C15H12N6/c16-5-11-6-18-21(8-11)12-9-20(10-12)15-7-17-13-3-1-2-4-14(13)19-15/h1-4,6-8,12H,9-10H2
InChIKeyMJKOINQAESYPPV-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.76
Rot. Bonds2

About 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile

1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile (PubChem CID 126900803) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
PubChem CID126900803
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(c3cnc4ccccc4n3)C2)c1
InChIInChI=1S/C15H12N6/c16-5-11-6-18-21(8-11)12-9-20(10-12)15-7-17-13-3-1-2-4-14(13)19-15/h1-4,6-8,12H,9-10H2
InChIKeyMJKOINQAESYPPV-UHFFFAOYSA-N
XLogP1.76
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile (CID 126900803) is 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(c3cnc4ccccc4n3)C2)c1.
What is the InChIKey of 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile?
The InChIKey is MJKOINQAESYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-5-11-6-18-21(8-11)12-9-20(10-12)15-7-17-13-3-1-2-4-14(13)19-15/h1-4,6-8,12H,9-10H2.
What are the key properties of 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile?
1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 126900803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).