3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol

C17H20N6O — CID 154761252

About 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol

3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol (PubChem CID 154761252) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol
• PubChem CID: 154761252
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol
• SMILES: Cn1cnnc1CC1(O)CCCN(c2ccnc3ccncc23)C1
• InChI: InChI=1S/C17H20N6O/c1-22-12-20-21-16(22)9-17(24)5-2-8-23(11-17)15-4-7-19-14-3-6-18-10-13(14)15/h3-4,6-7,10,12,24H,2,5,8-9,11H2,1H3
• InChIKey: KCWJWIYXSDLHAT-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 79.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol?

The IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol (CID 154761252) is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol.

What is the SMILES notation for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol?

The canonical SMILES for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol is Cn1cnnc1CC1(O)CCCN(c2ccnc3ccncc23)C1.

What is the InChIKey of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol?

The InChIKey is KCWJWIYXSDLHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-12-20-21-16(22)9-17(24)5-2-8-23(11-17)15-4-7-19-14-3-6-18-10-13(14)15/h3-4,6-7,10,12,24H,2,5,8-9,11H2,1H3.

What are the key properties of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol?

3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol has a molecular weight of 324.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,6-naphthyridin-4-yl)piperidin-3-ol is sourced from PubChem (CID 154761252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).