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

C14H19N5O2 — CID 51084101

IUPAC3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccco1)C(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C14H19N5O2/c1-2-18(10-11-5-4-8-21-11)14(20)15-9-13-17-16-12-6-3-7-19(12)13/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,20)
InChIKeyYSYTVEWEPKIGKE-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.55
Rot. Bonds5

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

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea (PubChem CID 51084101) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea
PubChem CID51084101
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccco1)C(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C14H19N5O2/c1-2-18(10-11-5-4-8-21-11)14(20)15-9-13-17-16-12-6-3-7-19(12)13/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,15,20)
InChIKeyYSYTVEWEPKIGKE-UHFFFAOYSA-N
XLogP1.55
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea (CID 51084101) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-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-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea is CCN(Cc1ccco1)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-(furan-2-ylmethyl)urea?
The InChIKey is YSYTVEWEPKIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-18(10-11-5-4-8-21-11)14(20)15-9-13-17-16-12-6-3-7-19(12)13/h4-5,8H,2-3,6-7,9-10H2,1H3,(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-(furan-2-ylmethyl)urea?
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(furan-2-ylmethyl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.55, 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-(furan-2-ylmethyl)urea is sourced from PubChem (CID 51084101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).