2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C20H19N5O — CID 127613842

IUPAC2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1cccc2c1CCC2)N1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C20H19N5O/c26-20(17-8-2-5-14-4-1-7-16(14)17)24-10-11-25-18(13-24)22-23-19(25)15-6-3-9-21-12-15/h2-3,5-6,8-9,12H,1,4,7,10-11,13H2
InChIKeyVBNIGCATWWWIDA-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.48
Rot. Bonds2

About 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 127613842) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID127613842
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1cccc2c1CCC2)N1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C20H19N5O/c26-20(17-8-2-5-14-4-1-7-16(14)17)24-10-11-25-18(13-24)22-23-19(25)15-6-3-9-21-12-15/h2-3,5-6,8-9,12H,1,4,7,10-11,13H2
InChIKeyVBNIGCATWWWIDA-UHFFFAOYSA-N
XLogP2.48
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 127613842) is 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1cccc2c1CCC2)N1CCn2c(nnc2-c2cccnc2)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is VBNIGCATWWWIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(17-8-2-5-14-4-1-7-16(14)17)24-10-11-25-18(13-24)22-23-19(25)15-6-3-9-21-12-15/h2-3,5-6,8-9,12H,1,4,7,10-11,13H2.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 345.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 127613842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).