1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea

C18H20F3N5O — CID 155952090

About 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea

1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea (PubChem CID 155952090) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
• PubChem CID: 155952090
• Molecular Formula: C18H20F3N5O
• Molecular Weight: 379.39 g/mol
• Exact Mass: 379.16
• IUPAC Name: 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
• SMILES: O=C(NCCc1nnc2n1CCC2)NC1(c2ccc(C(F)(F)F)cc2)CC1
• InChI: InChI=1S/C18H20F3N5O/c19-18(20,21)13-5-3-12(4-6-13)17(8-9-17)23-16(27)22-10-7-15-25-24-14-2-1-11-26(14)15/h3-6H,1-2,7-11H2,(H2,22,23,27)
• InChIKey: FNGMBSSWGFUDMC-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.39
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea (CID 155952090) is 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea.

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

The canonical SMILES for 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea is O=C(NCCc1nnc2n1CCC2)NC1(c2ccc(C(F)(F)F)cc2)CC1.

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

The InChIKey is FNGMBSSWGFUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)13-5-3-12(4-6-13)17(8-9-17)23-16(27)22-10-7-15-25-24-14-2-1-11-26(14)15/h3-6H,1-2,7-11H2,(H2,22,23,27).

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

1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea has a molecular weight of 379.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea is sourced from PubChem (CID 155952090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).