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

C14H23N5O2 — CID 71893460

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

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 71893460) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea
• PubChem CID: 71893460
• Molecular Formula: C14H23N5O2
• Molecular Weight: 293.37 g/mol
• Exact Mass: 293.19
• IUPAC Name: 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea
• SMILES: CCN(CC1CCOC1)C(=O)NCc1nnc2n1CCC2
• InChI: InChI=1S/C14H23N5O2/c1-2-18(9-11-5-7-21-10-11)14(20)15-8-13-17-16-12-4-3-6-19(12)13/h11H,2-10H2,1H3,(H,15,20)
• InChIKey: JGFLWZUNMSLJNJ-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.37
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea (CID 71893460) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea.

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

The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea is CCN(CC1CCOC1)C(=O)NCc1nnc2n1CCC2.

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

The InChIKey is JGFLWZUNMSLJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-18(9-11-5-7-21-10-11)14(20)15-8-13-17-16-12-4-3-6-19(12)13/h11H,2-10H2,1H3,(H,15,20).

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

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 293.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 71893460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).