[5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol

C23H22N10O3 — CID 134438889

About [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol

[5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 134438889) has the molecular formula C23H22N10O3 and a molecular weight of 486.50 g/mol. Its IUPAC name is [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol
• PubChem CID: 134438889
• Molecular Formula: C23H22N10O3
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.19
• IUPAC Name: [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol
• SMILES: COc1c(Nc2cc(Nc3ccc(C)nn3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1
• InChI: InChI=1S/C23H22N10O3/c1-13-7-8-18(29-28-13)27-19-9-17(15(10-24-19)23-31-30-20(11-34)36-23)26-16-6-4-5-14(21(16)35-3)22-25-12-33(2)32-22/h4-10,12,34H,11H2,1-3H3,(H2,24,26,27,29)
• InChIKey: YIYZIIFHIHPYEK-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 161.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol?

The IUPAC name of [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol (CID 134438889) is [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol.

What is the SMILES notation for [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol?

The canonical SMILES for [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol is COc1c(Nc2cc(Nc3ccc(C)nn3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1.

What is the InChIKey of [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol?

The InChIKey is YIYZIIFHIHPYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N10O3/c1-13-7-8-18(29-28-13)27-19-9-17(15(10-24-19)23-31-30-20(11-34)36-23)26-16-6-4-5-14(21(16)35-3)22-25-12-33(2)32-22/h4-10,12,34H,11H2,1-3H3,(H2,24,26,27,29).

What are the key properties of [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol?

[5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 486.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(6-methylpyridazin-3-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 134438889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).