2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol

C13H10ClN5O — CID 82370639

IUPAC2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol
SMILESNc1c(-c2ccncc2)nnn1-c1cc(Cl)ccc1O
InChIInChI=1S/C13H10ClN5O/c14-9-1-2-11(20)10(7-9)19-13(15)12(17-18-19)8-3-5-16-6-4-8/h1-7,20H,15H2
InChIKeySUAWRRSNUABLBK-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.27
Rot. Bonds2

About 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol

2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol (PubChem CID 82370639) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol
PubChem CID82370639
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol
SMILESNc1c(-c2ccncc2)nnn1-c1cc(Cl)ccc1O
InChIInChI=1S/C13H10ClN5O/c14-9-1-2-11(20)10(7-9)19-13(15)12(17-18-19)8-3-5-16-6-4-8/h1-7,20H,15H2
InChIKeySUAWRRSNUABLBK-UHFFFAOYSA-N
XLogP2.27
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370185
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
CID 82370532
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol
CID 82370618
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825
1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone
CID 82370009
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904400
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
CID 82370610

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol?
The IUPAC name of 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol (CID 82370639) is 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol.
What is the SMILES notation for 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol?
The canonical SMILES for 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol is Nc1c(-c2ccncc2)nnn1-c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol?
The InChIKey is SUAWRRSNUABLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-9-1-2-11(20)10(7-9)19-13(15)12(17-18-19)8-3-5-16-6-4-8/h1-7,20H,15H2.
What are the key properties of 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol?
2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol has a molecular weight of 287.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol is sourced from PubChem (CID 82370639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).