1-phenylmethoxy-5-thiophen-2-yltriazole

C13H11N3OS — CID 11747260

IUPAC1-phenylmethoxy-5-thiophen-2-yltriazole
SMILESc1ccc(COn2nncc2-c2cccs2)cc1
InChIInChI=1S/C13H11N3OS/c1-2-5-11(6-3-1)10-17-16-12(9-14-15-16)13-7-4-8-18-13/h1-9H,10H2
InChIKeyPKXWUNCROOZFCG-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.64
Rot. Bonds4

About 1-phenylmethoxy-5-thiophen-2-yltriazole

1-phenylmethoxy-5-thiophen-2-yltriazole (PubChem CID 11747260) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-phenylmethoxy-5-thiophen-2-yltriazole.

Molecular Properties

Compound Name1-phenylmethoxy-5-thiophen-2-yltriazole
PubChem CID11747260
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-phenylmethoxy-5-thiophen-2-yltriazole
SMILESc1ccc(COn2nncc2-c2cccs2)cc1
InChIInChI=1S/C13H11N3OS/c1-2-5-11(6-3-1)10-17-16-12(9-14-15-16)13-7-4-8-18-13/h1-9H,10H2
InChIKeyPKXWUNCROOZFCG-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenylmethoxy-5-thiophen-2-ylpyrazole
CID 11086368
[3-[5-(2H-triazol-4-yl)thiophen-3-yl]phenyl]methanol
CID 144461949
4-Phenyl-2-(thiophen-2-ylmethyl)triazole
CID 168868215
1-Phenylmethoxy-4-thiophen-2-ylpyrazole
CID 10658740
N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 82709056
2-(2-Phenylethyl)-4-thiophen-3-yltriazole
CID 102048495
(5-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 105103933
(3-Methylthiophen-2-yl)-(2-phenyltriazol-4-yl)methanol
CID 105113039

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-5-thiophen-2-yltriazole?
The IUPAC name of 1-phenylmethoxy-5-thiophen-2-yltriazole (CID 11747260) is 1-phenylmethoxy-5-thiophen-2-yltriazole.
What is the SMILES notation for 1-phenylmethoxy-5-thiophen-2-yltriazole?
The canonical SMILES for 1-phenylmethoxy-5-thiophen-2-yltriazole is c1ccc(COn2nncc2-c2cccs2)cc1.
What is the InChIKey of 1-phenylmethoxy-5-thiophen-2-yltriazole?
The InChIKey is PKXWUNCROOZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-5-11(6-3-1)10-17-16-12(9-14-15-16)13-7-4-8-18-13/h1-9H,10H2.
What are the key properties of 1-phenylmethoxy-5-thiophen-2-yltriazole?
1-phenylmethoxy-5-thiophen-2-yltriazole has a molecular weight of 257.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-5-thiophen-2-yltriazole is sourced from PubChem (CID 11747260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).