2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine

C13H16BrN5O — CID 104508479

IUPAC2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESCc1cc(Br)ccc1-n1nc(N2CCOCC2)nc1N
InChIInChI=1S/C13H16BrN5O/c1-9-8-10(14)2-3-11(9)19-12(15)16-13(17-19)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
InChIKeyXIXLBNKMICMGQQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.76
Rot. Bonds2

About 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine

2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine (PubChem CID 104508479) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
PubChem CID104508479
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESCc1cc(Br)ccc1-n1nc(N2CCOCC2)nc1N
InChIInChI=1S/C13H16BrN5O/c1-9-8-10(14)2-3-11(9)19-12(15)16-13(17-19)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
InChIKeyXIXLBNKMICMGQQ-UHFFFAOYSA-N
XLogP1.76
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine
CID 104508476
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795
5-bromo-2-(1,4-oxazepan-4-yl)aniline
CID 62988135
2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
3-methyl-4-morpholin-4-ylaniline
CID 10607787
2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 135549362
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
2-(4-bromo-2-methylphenyl)triazol-4-amine
CID 104509118
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine (CID 104508479) is 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine is Cc1cc(Br)ccc1-n1nc(N2CCOCC2)nc1N.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is XIXLBNKMICMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-9-8-10(14)2-3-11(9)19-12(15)16-13(17-19)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3,(H2,15,16,17).
What are the key properties of 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 338.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104508479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).