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

C13H16FN5O — CID 127267118

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCCc1ncn[nH]1
InChIInChI=1S/C13H16FN5O/c14-11-3-1-10(2-4-11)5-7-15-13(20)16-8-6-12-17-9-18-19-12/h1-4,9H,5-8H2,(H2,15,16,20)(H,17,18,19)
InChIKeyPQHUJCLCQHKCOJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.03
Rot. Bonds6

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

1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 127267118) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID127267118
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCCc1ncn[nH]1
InChIInChI=1S/C13H16FN5O/c14-11-3-1-10(2-4-11)5-7-15-13(20)16-8-6-12-17-9-18-19-12/h1-4,9H,5-8H2,(H2,15,16,20)(H,17,18,19)
InChIKeyPQHUJCLCQHKCOJ-UHFFFAOYSA-N
XLogP1.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 77044250
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 64525294
2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931
1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 64545703
2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 104686734
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113256537
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 64547195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 127267118) is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea is O=C(NCCc1ccc(F)cc1)NCCc1ncn[nH]1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is PQHUJCLCQHKCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c14-11-3-1-10(2-4-11)5-7-15-13(20)16-8-6-12-17-9-18-19-12/h1-4,9H,5-8H2,(H2,15,16,20)(H,17,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 277.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 127267118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).