4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol

C12H10N4OS — CID 82369948

IUPAC4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol
SMILESNc1c(-c2cccs2)nnn1-c1ccc(O)cc1
InChIInChI=1S/C12H10N4OS/c13-12-11(10-2-1-7-18-10)14-15-16(12)8-3-5-9(17)6-4-8/h1-7,17H,13H2
InChIKeyWTVHTXVRJUMLSN-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.28
Rot. Bonds2

About 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol

4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol (PubChem CID 82369948) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol
PubChem CID82369948
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol
SMILESNc1c(-c2cccs2)nnn1-c1ccc(O)cc1
InChIInChI=1S/C12H10N4OS/c13-12-11(10-2-1-7-18-10)14-15-16(12)8-3-5-9(17)6-4-8/h1-7,17H,13H2
InChIKeyWTVHTXVRJUMLSN-UHFFFAOYSA-N
XLogP2.28
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-tert-butylphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370466
3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370290
4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 11367830
2-[4-[4-(aminomethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetic acid
CID 94935952
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
2,3-dithiophen-2-ylquinoxalin-6-ol
CID 142989779
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
ethyl 5-amino-1-(4-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2816186
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
4-(4-hydroxyphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 142163527
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol?
The IUPAC name of 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol (CID 82369948) is 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol.
What is the SMILES notation for 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol?
The canonical SMILES for 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol is Nc1c(-c2cccs2)nnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol?
The InChIKey is WTVHTXVRJUMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-12-11(10-2-1-7-18-10)14-15-16(12)8-3-5-9(17)6-4-8/h1-7,17H,13H2.
What are the key properties of 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol?
4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol has a molecular weight of 258.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol is sourced from PubChem (CID 82369948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).