N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C20H20N6O2 — CID 165048943

IUPACN-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC1(C)c2nncn2CCN1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2
InChIInChI=1S/C20H20N6O2/c1-20(2)18-24-22-12-25(18)6-7-26(20)19(27)23-15-4-3-13-10-21-17(16(13)9-15)14-5-8-28-11-14/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,23,27)
InChIKeyPIXDPCGBUHUUJO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.00
Rot. Bonds2

About N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 165048943) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID165048943
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC1(C)c2nncn2CCN1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2
InChIInChI=1S/C20H20N6O2/c1-20(2)18-24-22-12-25(18)6-7-26(20)19(27)23-15-4-3-13-10-21-17(16(13)9-15)14-5-8-28-11-14/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,23,27)
InChIKeyPIXDPCGBUHUUJO-UHFFFAOYSA-N
XLogP3.00
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 165048943) is N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CC1(C)c2nncn2CCN1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2.
What is the InChIKey of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is PIXDPCGBUHUUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-20(2)18-24-22-12-25(18)6-7-26(20)19(27)23-15-4-3-13-10-21-17(16(13)9-15)14-5-8-28-11-14/h3-5,8-9,11-12H,6-7,10H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 165048943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).