2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol

C12H9N3O2 — CID 135449034

IUPAC2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C12H9N3O2/c16-9-5-2-1-4-8(9)11-13-12(15-14-11)10-6-3-7-17-10/h1-7,16H,(H,13,14,15)
InChIKeyISJOSPCZLYWQPW-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.44
Rot. Bonds2

About 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol

2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135449034) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135449034
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C12H9N3O2/c16-9-5-2-1-4-8(9)11-13-12(15-14-11)10-6-3-7-17-10/h1-7,16H,(H,13,14,15)
InChIKeyISJOSPCZLYWQPW-UHFFFAOYSA-N
XLogP2.44
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
CID 164601354
ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 144664757
1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine
CID 10635904
2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429519
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
CID 975179
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine
CID 10541032
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
CID 135649820
3-benzylsulfanyl-5-(furan-2-yl)-1H-1,2,4-triazole
CID 735682
2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 154796953
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide
CID 154770904

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol (CID 135449034) is 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1n[nH]c(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is ISJOSPCZLYWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-9-5-2-1-4-8(9)11-13-12(15-14-11)10-6-3-7-17-10/h1-7,16H,(H,13,14,15).
What are the key properties of 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol?
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 227.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135449034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).