1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole

C20H18N6O — CID 72912847

IUPAC1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole
SMILESc1coc(-c2ncc(-c3cn(CCN4CCc5ccccc54)nn3)cn2)c1
InChIInChI=1S/C20H18N6O/c1-2-5-18-15(4-1)7-8-25(18)9-10-26-14-17(23-24-26)16-12-21-20(22-13-16)19-6-3-11-27-19/h1-6,11-14H,7-10H2
InChIKeyOQZMSAVHKXYJAI-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole

1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole (PubChem CID 72912847) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole
PubChem CID72912847
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole
SMILESc1coc(-c2ncc(-c3cn(CCN4CCc5ccccc54)nn3)cn2)c1
InChIInChI=1S/C20H18N6O/c1-2-5-18-15(4-1)7-8-25(18)9-10-26-14-17(23-24-26)16-12-21-20(22-13-16)19-6-3-11-27-19/h1-6,11-14H,7-10H2
InChIKeyOQZMSAVHKXYJAI-UHFFFAOYSA-N
XLogP3.06
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole (CID 72912847) is 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole is c1coc(-c2ncc(-c3cn(CCN4CCc5ccccc54)nn3)cn2)c1.
What is the InChIKey of 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole?
The InChIKey is OQZMSAVHKXYJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-5-18-15(4-1)7-8-25(18)9-10-26-14-17(23-24-26)16-12-21-20(22-13-16)19-6-3-11-27-19/h1-6,11-14H,7-10H2.
What are the key properties of 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole?
1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole has a molecular weight of 358.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(furan-2-yl)pyrimidin-5-yl]triazol-1-yl]ethyl]-2,3-dihydroindole is sourced from PubChem (CID 72912847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).