1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide

C19H20ClN5O2 — CID 78881949

About 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 78881949) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 78881949
• Molecular Formula: C19H20ClN5O2
• Molecular Weight: 385.86 g/mol
• Exact Mass: 385.13
• IUPAC Name: 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1nc(C(=O)NCc2ccc(OC(C)C)nc2)nn1-c1ccc(Cl)cc1
• InChI: InChI=1S/C19H20ClN5O2/c1-12(2)27-17-9-4-14(10-21-17)11-22-19(26)18-23-13(3)25(24-18)16-7-5-15(20)6-8-16/h4-10,12H,11H2,1-3H3,(H,22,26)
• InChIKey: VAVZXMKFVDYTNP-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.86
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide (CID 78881949) is 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCc2ccc(OC(C)C)nc2)nn1-c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide?

The InChIKey is VAVZXMKFVDYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12(2)27-17-9-4-14(10-21-17)11-22-19(26)18-23-13(3)25(24-18)16-7-5-15(20)6-8-16/h4-10,12H,11H2,1-3H3,(H,22,26).

What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide?

1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78881949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).