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

C18H29N5O2 — CID 97048924

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

1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 97048924) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
• PubChem CID: 97048924
• Molecular Formula: C18H29N5O2
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.23
• IUPAC Name: 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
• SMILES: O=C(NCCc1nnc2n1CCC2)N(C[C@H]1CCCO1)C1CCCC1
• InChI: InChI=1S/C18H29N5O2/c24-18(19-10-9-17-21-20-16-8-3-11-22(16)17)23(14-5-1-2-6-14)13-15-7-4-12-25-15/h14-15H,1-13H2,(H,19,24)/t15-/m1/s1
• InChIKey: CZMOUCWQKHLZMG-OAHLLOKOSA-N
• XLogP: 1.90
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 97048924) is 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

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

The canonical SMILES for 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NCCc1nnc2n1CCC2)N(C[C@H]1CCCO1)C1CCCC1.

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

The InChIKey is CZMOUCWQKHLZMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-18(19-10-9-17-21-20-16-8-3-11-22(16)17)23(14-5-1-2-6-14)13-15-7-4-12-25-15/h14-15H,1-13H2,(H,19,24)/t15-/m1/s1.

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

1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 347.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 97048924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).