phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate

C15H12N4O2 — CID 60755049

IUPACphenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccccc1-n1cncn1)Oc1ccccc1
InChIInChI=1S/C15H12N4O2/c20-15(21-12-6-2-1-3-7-12)18-13-8-4-5-9-14(13)19-11-16-10-17-19/h1-11H,(H,18,20)
InChIKeyNNMXHEYGOBKMBM-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.88
Rot. Bonds3

About phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate

phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate (PubChem CID 60755049) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
PubChem CID60755049
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Namephenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccccc1-n1cncn1)Oc1ccccc1
InChIInChI=1S/C15H12N4O2/c20-15(21-12-6-2-1-3-7-12)18-13-8-4-5-9-14(13)19-11-16-10-17-19/h1-11H,(H,18,20)
InChIKeyNNMXHEYGOBKMBM-UHFFFAOYSA-N
XLogP2.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
5-hydroxy-N-[2-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63859919
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate (CID 60755049) is phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate is O=C(Nc1ccccc1-n1cncn1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate?
The InChIKey is NNMXHEYGOBKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21-12-6-2-1-3-7-12)18-13-8-4-5-9-14(13)19-11-16-10-17-19/h1-11H,(H,18,20).
What are the key properties of phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate?
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate has a molecular weight of 280.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 60755049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).