6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

C17H12N8O — CID 127029291

IUPAC6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCO)c2nc1C#N
InChIInChI=1S/C17H12N8O/c18-7-11-12(8-19)24-17-14(21-11)13(15(20)25(17)5-6-26)16-22-9-3-1-2-4-10(9)23-16/h1-4,26H,5-6,20H2,(H,22,23)
InChIKeyQBTCFTFJSUQRPL-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.29
Rot. Bonds3

About 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (PubChem CID 127029291) has the molecular formula C17H12N8O and a molecular weight of 344.34 g/mol. Its IUPAC name is 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
PubChem CID127029291
Molecular FormulaC17H12N8O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCO)c2nc1C#N
InChIInChI=1S/C17H12N8O/c18-7-11-12(8-19)24-17-14(21-11)13(15(20)25(17)5-6-26)16-22-9-3-1-2-4-10(9)23-16/h1-4,26H,5-6,20H2,(H,22,23)
InChIKeyQBTCFTFJSUQRPL-UHFFFAOYSA-N
XLogP1.29
TPSA153.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 127028986
6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 23994062
7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine
CID 174325292
6-amino-5-(oxolan-2-ylmethyl)-7-(4-oxo-3H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 135458545
4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
CID 102199414
1-amino-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile
CID 4184635
6-amino-7-(1-benzylbenzimidazol-2-yl)-5-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 2790133
1H-benzimidazole-2-carbonitrile
CID 843858
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2,5-diamino-3-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 101114567
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CID 127029291) is 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCO)c2nc1C#N.
What is the InChIKey of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is QBTCFTFJSUQRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8O/c18-7-11-12(8-19)24-17-14(21-11)13(15(20)25(17)5-6-26)16-22-9-3-1-2-4-10(9)23-16/h1-4,26H,5-6,20H2,(H,22,23).
What are the key properties of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 344.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 127029291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).