4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile

C14H8N6O — CID 54377257

IUPAC4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile
SMILESCOc1c(C#N)ccc(-c2nc3nccnc3[nH]2)c1C#N
InChIInChI=1S/C14H8N6O/c1-21-11-8(6-15)2-3-9(10(11)7-16)12-19-13-14(20-12)18-5-4-17-13/h2-5H,1H3,(H,17,18,19,20)
InChIKeyUXKCQQAVVCDKMN-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.77
Rot. Bonds2

About 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile

4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile (PubChem CID 54377257) has the molecular formula C14H8N6O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile
PubChem CID54377257
Molecular FormulaC14H8N6O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile
SMILESCOc1c(C#N)ccc(-c2nc3nccnc3[nH]2)c1C#N
InChIInChI=1S/C14H8N6O/c1-21-11-8(6-15)2-3-9(10(11)7-16)12-19-13-14(20-12)18-5-4-17-13/h2-5H,1H3,(H,17,18,19,20)
InChIKeyUXKCQQAVVCDKMN-UHFFFAOYSA-N
XLogP1.77
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile (CID 54377257) is 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile is COc1c(C#N)ccc(-c2nc3nccnc3[nH]2)c1C#N.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile?
The InChIKey is UXKCQQAVVCDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O/c1-21-11-8(6-15)2-3-9(10(11)7-16)12-19-13-14(20-12)18-5-4-17-13/h2-5H,1H3,(H,17,18,19,20).
What are the key properties of 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile?
4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile has a molecular weight of 276.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 54377257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).