6-bromo-4-(1,2,4-triazol-1-yl)quinoline

C11H7BrN4 — CID 121406014

IUPAC6-bromo-4-(1,2,4-triazol-1-yl)quinoline
SMILESBrc1ccc2nccc(-n3cncn3)c2c1
InChIInChI=1S/C11H7BrN4/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H
InChIKeyVYLHPRVRQITJMQ-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.58
Rot. Bonds1

About 6-bromo-4-(1,2,4-triazol-1-yl)quinoline

6-bromo-4-(1,2,4-triazol-1-yl)quinoline (PubChem CID 121406014) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 6-bromo-4-(1,2,4-triazol-1-yl)quinoline.

Molecular Properties

Compound Name6-bromo-4-(1,2,4-triazol-1-yl)quinoline
PubChem CID121406014
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name6-bromo-4-(1,2,4-triazol-1-yl)quinoline
SMILESBrc1ccc2nccc(-n3cncn3)c2c1
InChIInChI=1S/C11H7BrN4/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H
InChIKeyVYLHPRVRQITJMQ-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-pyrazol-1-ylquinoline
CID 162750706
6-bromo-4-(1,2,4-triazol-1-yl)naphthalene-1,2-diol
CID 135033137
1-[4-bromo-2-(methoxymethoxy)phenyl]-1,2,4-triazole
CID 135184043
4-bromo-2-(1,2,4-triazol-1-yl)benzamide
CID 115773784
6-bromo-4-(3,8-diazabicyclo[3.2.1]octan-8-yl)quinoline
CID 167936998
4-(1,2,4-triazol-1-yl)quinolin-2-amine
CID 170518666
2-(5-bromo-1H-indol-3-yl)-3-[4-(1,2,4-triazol-1-yl)-3-pyridinyl]prop-2-enenitrile
CID 123194634
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
6-bromo-4-(trifluoromethyl)quinoline
CID 135234308
4-(4-bromopyrazol-1-yl)quinoline
CID 61339389
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 22031560

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1,2,4-triazol-1-yl)quinoline?
The IUPAC name of 6-bromo-4-(1,2,4-triazol-1-yl)quinoline (CID 121406014) is 6-bromo-4-(1,2,4-triazol-1-yl)quinoline.
What is the SMILES notation for 6-bromo-4-(1,2,4-triazol-1-yl)quinoline?
The canonical SMILES for 6-bromo-4-(1,2,4-triazol-1-yl)quinoline is Brc1ccc2nccc(-n3cncn3)c2c1.
What is the InChIKey of 6-bromo-4-(1,2,4-triazol-1-yl)quinoline?
The InChIKey is VYLHPRVRQITJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H.
What are the key properties of 6-bromo-4-(1,2,4-triazol-1-yl)quinoline?
6-bromo-4-(1,2,4-triazol-1-yl)quinoline has a molecular weight of 275.11 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1,2,4-triazol-1-yl)quinoline is sourced from PubChem (CID 121406014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).