[2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate

C19H18N4O2 — CID 66898643

IUPAC[2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate
SMILESNC(=O)Oc1cccc(-c2nncn2C2CC2)c1Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-19(24)25-17-8-4-7-15(16(17)11-13-5-2-1-3-6-13)18-22-21-12-23(18)14-9-10-14/h1-8,12,14H,9-11H2,(H2,20,24)
InChIKeyJXXTVFOSKIRYFI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds5

About [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate

[2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate (PubChem CID 66898643) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate.

Molecular Properties

Compound Name[2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate
PubChem CID66898643
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate
SMILESNC(=O)Oc1cccc(-c2nncn2C2CC2)c1Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-19(24)25-17-8-4-7-15(16(17)11-13-5-2-1-3-6-13)18-22-21-12-23(18)14-9-10-14/h1-8,12,14H,9-11H2,(H2,20,24)
InChIKeyJXXTVFOSKIRYFI-UHFFFAOYSA-N
XLogP3.33
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
The IUPAC name of [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate (CID 66898643) is [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate.
What is the SMILES notation for [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
The canonical SMILES for [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate is NC(=O)Oc1cccc(-c2nncn2C2CC2)c1Cc1ccccc1.
What is the InChIKey of [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
The InChIKey is JXXTVFOSKIRYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19(24)25-17-8-4-7-15(16(17)11-13-5-2-1-3-6-13)18-22-21-12-23(18)14-9-10-14/h1-8,12,14H,9-11H2,(H2,20,24).
What are the key properties of [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
[2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate has a molecular weight of 334.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate is sourced from PubChem (CID 66898643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).