4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile

C19H14F3N7O2 — CID 67888690

IUPAC4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile
SMILESCC1(n2c(=O)c3c(-c4nnn(C#N)c4C(F)(F)F)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C19H14F3N7O2/c1-18(7-4-8-31-18)29-12-6-3-2-5-11(12)27-10-24-13(15(27)17(29)30)14-16(19(20,21)22)28(9-23)26-25-14/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyDKAXUWXQMXNMNT-UHFFFAOYSA-N
MW429.36 g/mol
LogP2.74
Rot. Bonds2

About 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile

4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile (PubChem CID 67888690) has the molecular formula C19H14F3N7O2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile.

Molecular Properties

Compound Name4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile
PubChem CID67888690
Molecular FormulaC19H14F3N7O2
Molecular Weight429.36 g/mol
Exact Mass429.12
IUPAC Name4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile
SMILESCC1(n2c(=O)c3c(-c4nnn(C#N)c4C(F)(F)F)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C19H14F3N7O2/c1-18(7-4-8-31-18)29-12-6-3-2-5-11(12)27-10-24-13(15(27)17(29)30)14-16(19(20,21)22)28(9-23)26-25-14/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyDKAXUWXQMXNMNT-UHFFFAOYSA-N
XLogP2.74
TPSA103.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile?
The IUPAC name of 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile (CID 67888690) is 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile.
What is the SMILES notation for 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile?
The canonical SMILES for 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile is CC1(n2c(=O)c3c(-c4nnn(C#N)c4C(F)(F)F)ncn3c3ccccc32)CCCO1.
What is the InChIKey of 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile?
The InChIKey is DKAXUWXQMXNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O2/c1-18(7-4-8-31-18)29-12-6-3-2-5-11(12)27-10-24-13(15(27)17(29)30)14-16(19(20,21)22)28(9-23)26-25-14/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile?
4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile has a molecular weight of 429.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile is sourced from PubChem (CID 67888690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).