1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C11H11F2N5O — CID 75399799

IUPAC1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cc(F)cc(F)c1)c1ncn[nH]1
InChIInChI=1S/C11H11F2N5O/c1-6(10-14-5-15-18-10)16-11(19)17-9-3-7(12)2-8(13)4-9/h2-6H,1H3,(H,14,15,18)(H2,16,17,19)
InChIKeyORCDTXRYYFBBKO-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.97
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 75399799) has the molecular formula C11H11F2N5O and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID75399799
Molecular FormulaC11H11F2N5O
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCC(NC(=O)Nc1cc(F)cc(F)c1)c1ncn[nH]1
InChIInChI=1S/C11H11F2N5O/c1-6(10-14-5-15-18-10)16-11(19)17-9-3-7(12)2-8(13)4-9/h2-6H,1H3,(H,14,15,18)(H2,16,17,19)
InChIKeyORCDTXRYYFBBKO-UHFFFAOYSA-N
XLogP1.97
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 1473649
1-(2-Fluorophenyl)-3-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]urea
CID 6489528
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51084694
1-(5-Fluoro-2-piperidin-1-ylphenyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53594586
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 71852356
1-(2,3-Difluorophenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71972145
1-(3,5-difluorophenyl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]urea
CID 72104345
1-(2,4-difluorophenyl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]urea
CID 72113672
2-[5-[1-(acetylamino)butyl]-1-(2,4-difluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 72889459
1-(4-methylphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75397667
1-(3,4-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75400105
1-[3-(propan-2-ylsulfanylmethyl)phenyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75448960

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 75399799) is 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is CC(NC(=O)Nc1cc(F)cc(F)c1)c1ncn[nH]1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is ORCDTXRYYFBBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O/c1-6(10-14-5-15-18-10)16-11(19)17-9-3-7(12)2-8(13)4-9/h2-6H,1H3,(H,14,15,18)(H2,16,17,19).
What are the key properties of 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 267.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 75399799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).