1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C14H18FN5O — CID 94251748

IUPAC1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1nncn1C)c1cccc(F)c1
InChIInChI=1S/C14H18FN5O/c1-9(11-5-4-6-12(15)7-11)17-14(21)18-10(2)13-19-16-8-20(13)3/h4-10H,1-3H3,(H2,17,18,21)/t9-,10+/m0/s1
InChIKeyVOZALSMBJILXDY-VHSXEESVSA-N
MW291.33 g/mol
LogP2.08
Rot. Bonds4

About 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 94251748) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID94251748
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1nncn1C)c1cccc(F)c1
InChIInChI=1S/C14H18FN5O/c1-9(11-5-4-6-12(15)7-11)17-14(21)18-10(2)13-19-16-8-20(13)3/h4-10H,1-3H3,(H2,17,18,21)/t9-,10+/m0/s1
InChIKeyVOZALSMBJILXDY-VHSXEESVSA-N
XLogP2.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 97089227
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CID 47015065
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95133756
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94047977
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
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2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999
1-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119994
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
CID 104897284
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 111334647
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 94251748) is 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is C[C@H](NC(=O)N[C@H](C)c1nncn1C)c1cccc(F)c1.
What is the InChIKey of 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is VOZALSMBJILXDY-VHSXEESVSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-9(11-5-4-6-12(15)7-11)17-14(21)18-10(2)13-19-16-8-20(13)3/h4-10H,1-3H3,(H2,17,18,21)/t9-,10+/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 291.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 94251748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).