3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol

C19H28N4O — CID 111333738

About 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol

3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol (PubChem CID 111333738) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
• PubChem CID: 111333738
• Molecular Formula: C19H28N4O
• Molecular Weight: 328.46 g/mol
• Exact Mass: 328.23
• IUPAC Name: 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
• SMILES: CC(C)c1nnc(CN(CCCO)C2CCc3ccccc32)n1C
• InChI: InChI=1S/C19H28N4O/c1-14(2)19-21-20-18(22(19)3)13-23(11-6-12-24)17-10-9-15-7-4-5-8-16(15)17/h4-5,7-8,14,17,24H,6,9-13H2,1-3H3
• InChIKey: MDMSQQRYHVDXME-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.46
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?

The IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol (CID 111333738) is 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol.

What is the SMILES notation for 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?

The canonical SMILES for 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol is CC(C)c1nnc(CN(CCCO)C2CCc3ccccc32)n1C.

What is the InChIKey of 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?

The InChIKey is MDMSQQRYHVDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)19-21-20-18(22(19)3)13-23(11-6-12-24)17-10-9-15-7-4-5-8-16(15)17/h4-5,7-8,14,17,24H,6,9-13H2,1-3H3.

What are the key properties of 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol?

3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,3-dihydro-1H-inden-1-yl-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 111333738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).