2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide

C19H16N6O — CID 72903353

IUPAC2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESN#Cc1ccc(-c2nc(CC(N)=O)nn2C2Cc3ccccc3C2)cn1
InChIInChI=1S/C19H16N6O/c20-10-15-6-5-14(11-22-15)19-23-18(9-17(21)26)24-25(19)16-7-12-3-1-2-4-13(12)8-16/h1-6,11,16H,7-9H2,(H2,21,26)
InChIKeyALJNXPXAKZLKRJ-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.58
Rot. Bonds4

About 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide

2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 72903353) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID72903353
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESN#Cc1ccc(-c2nc(CC(N)=O)nn2C2Cc3ccccc3C2)cn1
InChIInChI=1S/C19H16N6O/c20-10-15-6-5-14(11-22-15)19-23-18(9-17(21)26)24-25(19)16-7-12-3-1-2-4-13(12)8-16/h1-6,11,16H,7-9H2,(H2,21,26)
InChIKeyALJNXPXAKZLKRJ-UHFFFAOYSA-N
XLogP1.58
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide (CID 72903353) is 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide is N#Cc1ccc(-c2nc(CC(N)=O)nn2C2Cc3ccccc3C2)cn1.
What is the InChIKey of 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ALJNXPXAKZLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-10-15-6-5-14(11-22-15)19-23-18(9-17(21)26)24-25(19)16-7-12-3-1-2-4-13(12)8-16/h1-6,11,16H,7-9H2,(H2,21,26).
What are the key properties of 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide?
2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-cyano-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72903353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).