4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol

C16H12ClN5O — CID 135548693

IUPAC4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol
SMILESCc1nnc2c(Nc3cc(Cl)ccc3O)nc3ccccc3n12
InChIInChI=1S/C16H12ClN5O/c1-9-20-21-16-15(19-12-8-10(17)6-7-14(12)23)18-11-4-2-3-5-13(11)22(9)16/h2-8,23H,1H3,(H,18,19)
InChIKeyFTRUCNSXFSHHOK-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.69
Rot. Bonds2

About 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol

4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol (PubChem CID 135548693) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol
PubChem CID135548693
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol
SMILESCc1nnc2c(Nc3cc(Cl)ccc3O)nc3ccccc3n12
InChIInChI=1S/C16H12ClN5O/c1-9-20-21-16-15(19-12-8-10(17)6-7-14(12)23)18-11-4-2-3-5-13(11)22(9)16/h2-8,23H,1H3,(H,18,19)
InChIKeyFTRUCNSXFSHHOK-UHFFFAOYSA-N
XLogP3.69
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431976
N-(3,5-dimethylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431969
1-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 45106063
N-(5-chloro-2-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 22431505
N-(4-bromo-3-methylphenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431862
4-chloro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]benzamide
CID 142745847
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
CID 135458511
[4-(4-hydroxyanilino)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 135550931
1-methyl-[1,2,4]triazolo[4,3-a]quinolin-4-ol
CID 123586465
N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]acetamide
CID 146342013
2-[(5-chloro-2-hydroxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1113010
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol?
The IUPAC name of 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol (CID 135548693) is 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol.
What is the SMILES notation for 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol?
The canonical SMILES for 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol is Cc1nnc2c(Nc3cc(Cl)ccc3O)nc3ccccc3n12.
What is the InChIKey of 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol?
The InChIKey is FTRUCNSXFSHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-9-20-21-16-15(19-12-8-10(17)6-7-14(12)23)18-11-4-2-3-5-13(11)22(9)16/h2-8,23H,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol?
4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol has a molecular weight of 325.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]phenol is sourced from PubChem (CID 135548693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).