4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine

C7H11BrN4O — CID 51000286

IUPAC4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1nc(Br)nc1N1CCOCC1
InChIInChI=1S/C7H11BrN4O/c1-11-7(9-6(8)10-11)12-2-4-13-5-3-12/h2-5H2,1H3
InChIKeyQRVTYSBZGQNFRB-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.41
Rot. Bonds1

About 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine

4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 51000286) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID51000286
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1nc(Br)nc1N1CCOCC1
InChIInChI=1S/C7H11BrN4O/c1-11-7(9-6(8)10-11)12-2-4-13-5-3-12/h2-5H2,1H3
InChIKeyQRVTYSBZGQNFRB-UHFFFAOYSA-N
XLogP0.41
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 72919049
4-[2-methyl-5-(3-phenylprop-1-enyl)-1,2,4-triazol-3-yl]morpholine
CID 170311913
4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 72897554
N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 155914199
2-methyl-3-morpholin-4-yl-1H-1,2,4-triazol-5-one
CID 19390520
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)morpholine
CID 118614085
4-[5-[2-[(2-chlorophenyl)methoxy]phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121499119
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
3,5-dimethyl-7-morpholin-4-ylimidazo[5,1-f][1,2,4]triazin-4-one
CID 139494738

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine (CID 51000286) is 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine is Cn1nc(Br)nc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is QRVTYSBZGQNFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-11-7(9-6(8)10-11)12-2-4-13-5-3-12/h2-5H2,1H3.
What are the key properties of 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine?
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 247.10 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 51000286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).