(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate

C13H6N4O3 — CID 67059693

IUPAC(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate
SMILESN#Cc1nc2c(nc1OC(N)=O)-c1ccccc1C2=O
InChIInChI=1S/C13H6N4O3/c14-5-8-12(20-13(15)19)17-9-6-3-1-2-4-7(6)11(18)10(9)16-8/h1-4H,(H2,15,19)
InChIKeyGFVUPEHVRGVQBP-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.02
Rot. Bonds1

About (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate

(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate (PubChem CID 67059693) has the molecular formula C13H6N4O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate.

Molecular Properties

Compound Name(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate
PubChem CID67059693
Molecular FormulaC13H6N4O3
Molecular Weight266.22 g/mol
Exact Mass266.04
IUPAC Name(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate
SMILESN#Cc1nc2c(nc1OC(N)=O)-c1ccccc1C2=O
InChIInChI=1S/C13H6N4O3/c14-5-8-12(20-13(15)19)17-9-6-3-1-2-4-7(6)11(18)10(9)16-8/h1-4H,(H2,15,19)
InChIKeyGFVUPEHVRGVQBP-UHFFFAOYSA-N
XLogP1.02
TPSA118.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
CID 159982210
9-oxo-3-(2-phenylethynyl)indeno[1,2-b]pyrazine-2-carbonitrile
CID 155549898
3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
CID 70987443
[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino] acetate
CID 76577934
6-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 70987446
7-iodo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 70987426
ethyl 2-[(3-carbamoyl-2-cyanoindeno[1,2-b]pyrazin-9-ylidene)amino]oxyacetate
CID 76577927
13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one;dihydrate
CID 18527941
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
anthracene-9,10-dione;carbamic acid
CID 70556478
9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230794
(3-phenyl-2-pyridinyl) carbamate
CID 155234314

Frequently Asked Questions

What is the IUPAC name of (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate?
The IUPAC name of (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate (CID 67059693) is (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate.
What is the SMILES notation for (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate?
The canonical SMILES for (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate is N#Cc1nc2c(nc1OC(N)=O)-c1ccccc1C2=O.
What is the InChIKey of (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate?
The InChIKey is GFVUPEHVRGVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N4O3/c14-5-8-12(20-13(15)19)17-9-6-3-1-2-4-7(6)11(18)10(9)16-8/h1-4H,(H2,15,19).
What are the key properties of (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate?
(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate has a molecular weight of 266.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl) carbamate is sourced from PubChem (CID 67059693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).