6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline

C13H11BrN6 — CID 165435723

IUPAC6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
SMILESBrc1ccc2nc(N3CC(n4nccn4)C3)ncc2c1
InChIInChI=1S/C13H11BrN6/c14-10-1-2-12-9(5-10)6-15-13(18-12)19-7-11(8-19)20-16-3-4-17-20/h1-6,11H,7-8H2
InChIKeyFVCDBCDFGNUFBZ-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.05
Rot. Bonds2

About 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline

6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline (PubChem CID 165435723) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
PubChem CID165435723
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC Name6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
SMILESBrc1ccc2nc(N3CC(n4nccn4)C3)ncc2c1
InChIInChI=1S/C13H11BrN6/c14-10-1-2-12-9(5-10)6-15-13(18-12)19-7-11(8-19)20-16-3-4-17-20/h1-6,11H,7-8H2
InChIKeyFVCDBCDFGNUFBZ-UHFFFAOYSA-N
XLogP2.05
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline 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

6-bromo-2-piperidin-1-ylquinazoline
CID 165497693
1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 172905670
(1S,5R)-6-(6-bromoquinazolin-2-yl)-3-oxa-6-azabicyclo[3.1.1]heptane
CID 170940728
6-bromo-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinazoline
CID 171705386
1-(6-bromoquinazolin-2-yl)-N-methylpiperidine-4-carboxamide
CID 171691467
1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
CID 155800437
4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
CID 170707996
6-bromo-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605676
N-[1-(6-bromoquinazolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882008
6-bromo-2-chloroquinazoline;ethane
CID 143712376
6-bromo-N-cyclopentylquinazolin-2-amine
CID 118048975
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
The IUPAC name of 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline (CID 165435723) is 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline is Brc1ccc2nc(N3CC(n4nccn4)C3)ncc2c1.
What is the InChIKey of 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
The InChIKey is FVCDBCDFGNUFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c14-10-1-2-12-9(5-10)6-15-13(18-12)19-7-11(8-19)20-16-3-4-17-20/h1-6,11H,7-8H2.
What are the key properties of 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline has a molecular weight of 331.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-(triazol-2-yl)azetidin-1-yl]quinazoline is sourced from PubChem (CID 165435723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).