1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea

C18H19N5O2 — CID 75427418

IUPAC1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C18H19N5O2/c24-10-9-19-18(25)20-16-8-4-7-15(11-16)17-13-23(22-21-17)12-14-5-2-1-3-6-14/h1-8,11,13,24H,9-10,12H2,(H2,19,20,25)
InChIKeyOJEVYRKTMXHKEG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.11
Rot. Bonds6

About 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea

1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea (PubChem CID 75427418) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea
PubChem CID75427418
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1
InChIInChI=1S/C18H19N5O2/c24-10-9-19-18(25)20-16-8-4-7-15(11-16)17-13-23(22-21-17)12-14-5-2-1-3-6-14/h1-8,11,13,24H,9-10,12H2,(H2,19,20,25)
InChIKeyOJEVYRKTMXHKEG-UHFFFAOYSA-N
XLogP2.11
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea (CID 75427418) is 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1.
What is the InChIKey of 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea?
The InChIKey is OJEVYRKTMXHKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-10-9-19-18(25)20-16-8-4-7-15(11-16)17-13-23(22-21-17)12-14-5-2-1-3-6-14/h1-8,11,13,24H,9-10,12H2,(H2,19,20,25).
What are the key properties of 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea?
1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea has a molecular weight of 337.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzyltriazol-4-yl)phenyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 75427418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).