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

C19H18N4O2 — CID 66898644

IUPAC[4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(Cc2ccccc2)c(-c2nncn2C2CC2)c1
InChIInChI=1S/C19H18N4O2/c20-19(24)25-16-9-6-14(10-13-4-2-1-3-5-13)17(11-16)18-22-21-12-23(18)15-7-8-15/h1-6,9,11-12,15H,7-8,10H2,(H2,20,24)
InChIKeyYJCBONAXAVXGOM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds5

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

[4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate (PubChem CID 66898644) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate
PubChem CID66898644
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(Cc2ccccc2)c(-c2nncn2C2CC2)c1
InChIInChI=1S/C19H18N4O2/c20-19(24)25-16-9-6-14(10-13-4-2-1-3-5-13)17(11-16)18-22-21-12-23(18)15-7-8-15/h1-6,9,11-12,15H,7-8,10H2,(H2,20,24)
InChIKeyYJCBONAXAVXGOM-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 [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
The IUPAC name of [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate (CID 66898644) is [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate.
What is the SMILES notation for [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
The canonical SMILES for [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate is NC(=O)Oc1ccc(Cc2ccccc2)c(-c2nncn2C2CC2)c1.
What is the InChIKey of [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
The InChIKey is YJCBONAXAVXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19(24)25-16-9-6-14(10-13-4-2-1-3-5-13)17(11-16)18-22-21-12-23(18)15-7-8-15/h1-6,9,11-12,15H,7-8,10H2,(H2,20,24).
What are the key properties of [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate?
[4-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 [4-benzyl-3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl] carbamate is sourced from PubChem (CID 66898644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).