5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine

C12H10BrN5 — CID 103098719

IUPAC5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(Cc2ccc3ncccc3c2)n1
InChIInChI=1S/C12H10BrN5/c13-11-16-12(14)17-18(11)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-6H,7H2,(H2,14,17)
InChIKeyCNLHDAOHUNZLTG-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.22
Rot. Bonds2

About 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine

5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 103098719) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID103098719
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(Cc2ccc3ncccc3c2)n1
InChIInChI=1S/C12H10BrN5/c13-11-16-12(14)17-18(11)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-6H,7H2,(H2,14,17)
InChIKeyCNLHDAOHUNZLTG-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(quinolin-6-ylmethyl)indazol-3-amine
CID 62687491
4-iodo-3-methyl-1-(quinolin-6-ylmethyl)pyrazol-5-amine
CID 63968075
6-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 171999212
3-[(3-amino-5-bromo-1,2,4-triazol-1-yl)methyl]pyridine-2-carbonitrile
CID 103098732
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
CID 142789806
6-(2-bromoethyl)quinoline
CID 68811984
4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
CID 107344350
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
5-bromo-1-[(5-bromofuran-3-yl)methyl]-1,2,4-triazol-3-amine
CID 131108985
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
6-[(4-bromoindol-1-yl)methyl]quinoline
CID 116626190
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine (CID 103098719) is 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine is Nc1nc(Br)n(Cc2ccc3ncccc3c2)n1.
What is the InChIKey of 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is CNLHDAOHUNZLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-11-16-12(14)17-18(11)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-6H,7H2,(H2,14,17).
What are the key properties of 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine?
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 304.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).