N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C19H24N8O — CID 91765404

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 91765404) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
• PubChem CID: 91765404
• Molecular Formula: C19H24N8O
• Molecular Weight: 380.46 g/mol
• Exact Mass: 380.21
• IUPAC Name: N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
• SMILES: CN(C)Cc1nnc(C2CC(NC(=O)c3ccccc3-c3ncn[nH]3)C2)n1C
• InChI: InChI=1S/C19H24N8O/c1-26(2)10-16-23-25-18(27(16)3)12-8-13(9-12)22-19(28)15-7-5-4-6-14(15)17-20-11-21-24-17/h4-7,11-13H,8-10H2,1-3H3,(H,22,28)(H,20,21,24)
• InChIKey: DXKKPQIVVNMSOK-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.46
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?

The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 91765404) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?

The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is CN(C)Cc1nnc(C2CC(NC(=O)c3ccccc3-c3ncn[nH]3)C2)n1C.

What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?

The InChIKey is DXKKPQIVVNMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-26(2)10-16-23-25-18(27(16)3)12-8-13(9-12)22-19(28)15-7-5-4-6-14(15)17-20-11-21-24-17/h4-7,11-13H,8-10H2,1-3H3,(H,22,28)(H,20,21,24).

What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 380.46 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 91765404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).