1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol

C21H22N4O — CID 137446618

About 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol

1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol (PubChem CID 137446618) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol
• PubChem CID: 137446618
• Molecular Formula: C21H22N4O
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.18
• IUPAC Name: 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol
• SMILES: CC1=CC(c2ccc3nnc([C@H](C)c4ccccc4)n3c2)=CN(C)C1O
• InChI: InChI=1S/C21H22N4O/c1-14-11-18(12-24(3)21(14)26)17-9-10-19-22-23-20(25(19)13-17)15(2)16-7-5-4-6-8-16/h4-13,15,21,26H,1-3H3/t15-,21?/m1/s1
• InChIKey: NDJDNNPUYIBFTF-RBFZIWAESA-N
• XLogP: 3.43
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol?

The IUPAC name of 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol (CID 137446618) is 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol.

What is the SMILES notation for 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol?

The canonical SMILES for 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol is CC1=CC(c2ccc3nnc([C@H](C)c4ccccc4)n3c2)=CN(C)C1O.

What is the InChIKey of 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol?

The InChIKey is NDJDNNPUYIBFTF-RBFZIWAESA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-11-18(12-24(3)21(14)26)17-9-10-19-22-23-20(25(19)13-17)15(2)16-7-5-4-6-8-16/h4-13,15,21,26H,1-3H3/t15-,21?/m1/s1.

What are the key properties of 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol?

1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol has a molecular weight of 346.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol is sourced from PubChem (CID 137446618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).