acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

C17H25N5O3S — CID 154884884

About acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (PubChem CID 154884884) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

• Compound Name: acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
• PubChem CID: 154884884
• Molecular Formula: C17H25N5O3S
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.17
• IUPAC Name: acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
• SMILES: CC(=O)O.COc1cccnc1CSc1nnc(C2CCCNC2)n1C
• InChI: InChI=1S/C15H21N5OS.C2H4O2/c1-20-14(11-5-3-7-16-9-11)18-19-15(20)22-10-12-13(21-2)6-4-8-17-12;1-2(3)4/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3;1H3,(H,3,4)
• InChIKey: RMOBEQWGHUHUGG-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?

The IUPAC name of acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (CID 154884884) is acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.

What is the SMILES notation for acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?

The canonical SMILES for acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is CC(=O)O.COc1cccnc1CSc1nnc(C2CCCNC2)n1C.

What is the InChIKey of acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?

The InChIKey is RMOBEQWGHUHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS.C2H4O2/c1-20-14(11-5-3-7-16-9-11)18-19-15(20)22-10-12-13(21-2)6-4-8-17-12;1-2(3)4/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3;1H3,(H,3,4).

What are the key properties of acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?

acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine has a molecular weight of 379.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 154884884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).