1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea

C12H14F3N5O2 — CID 29184269

IUPAC1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea
SMILESCCCn1cnc(NC(=O)N[C@H](c2ccco2)C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O2/c1-2-5-20-7-16-10(19-20)18-11(21)17-9(12(13,14)15)8-4-3-6-22-8/h3-4,6-7,9H,2,5H2,1H3,(H2,17,18,19,21)/t9-/m1/s1
InChIKeyWHYIZZKCPXGHNC-SECBINFHSA-N
MW317.27 g/mol
LogP2.71
Rot. Bonds5

About 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea

1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea (PubChem CID 29184269) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea
PubChem CID29184269
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea
SMILESCCCn1cnc(NC(=O)N[C@H](c2ccco2)C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O2/c1-2-5-20-7-16-10(19-20)18-11(21)17-9(12(13,14)15)8-4-3-6-22-8/h3-4,6-7,9H,2,5H2,1H3,(H2,17,18,19,21)/t9-/m1/s1
InChIKeyWHYIZZKCPXGHNC-SECBINFHSA-N
XLogP2.71
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]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 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea (CID 29184269) is 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea is CCCn1cnc(NC(=O)N[C@H](c2ccco2)C(F)(F)F)n1.
What is the InChIKey of 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea?
The InChIKey is WHYIZZKCPXGHNC-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-2-5-20-7-16-10(19-20)18-11(21)17-9(12(13,14)15)8-4-3-6-22-8/h3-4,6-7,9H,2,5H2,1H3,(H2,17,18,19,21)/t9-/m1/s1.
What are the key properties of 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea?
1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea has a molecular weight of 317.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 29184269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).