1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

C18H26N6O — CID 166208283

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (PubChem CID 166208283) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

Molecular Properties

• Compound Name: 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
• PubChem CID: 166208283
• Molecular Formula: C18H26N6O
• Molecular Weight: 342.45 g/mol
• Exact Mass: 342.22
• IUPAC Name: 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
• SMILES: Cc1cccnc1C(NC(=O)N(C)Cc1nnc2n1CCC2)C(C)C
• InChI: InChI=1S/C18H26N6O/c1-12(2)16(17-13(3)7-5-9-19-17)20-18(25)23(4)11-15-22-21-14-8-6-10-24(14)15/h5,7,9,12,16H,6,8,10-11H2,1-4H3,(H,20,25)
• InChIKey: VNTVVSXKBLXOLH-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.45
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (CID 166208283) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is Cc1cccnc1C(NC(=O)N(C)Cc1nnc2n1CCC2)C(C)C.

What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The InChIKey is VNTVVSXKBLXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(2)16(17-13(3)7-5-9-19-17)20-18(25)23(4)11-15-22-21-14-8-6-10-24(14)15/h5,7,9,12,16H,6,8,10-11H2,1-4H3,(H,20,25).

What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea has a molecular weight of 342.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is sourced from PubChem (CID 166208283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).