N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

C12H11BrN6O — CID 118466933

IUPACN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESBrc1cc(Nc2cc3n(n2)CCOC3)c2ncnn2c1
InChIInChI=1S/C12H11BrN6O/c13-8-3-10(12-14-7-15-19(12)5-8)16-11-4-9-6-20-2-1-18(9)17-11/h3-5,7H,1-2,6H2,(H,16,17)
InChIKeyLBCMQDNCMVWZDQ-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.96
Rot. Bonds2

About N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (PubChem CID 118466933) has the molecular formula C12H11BrN6O and a molecular weight of 335.17 g/mol. Its IUPAC name is N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
PubChem CID118466933
Molecular FormulaC12H11BrN6O
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC NameN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESBrc1cc(Nc2cc3n(n2)CCOC3)c2ncnn2c1
InChIInChI=1S/C12H11BrN6O/c13-8-3-10(12-14-7-15-19(12)5-8)16-11-4-9-6-20-2-1-18(9)17-11/h3-5,7H,1-2,6H2,(H,16,17)
InChIKeyLBCMQDNCMVWZDQ-UHFFFAOYSA-N
XLogP1.96
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The IUPAC name of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (CID 118466933) is N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.
What is the SMILES notation for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The canonical SMILES for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is Brc1cc(Nc2cc3n(n2)CCOC3)c2ncnn2c1.
What is the InChIKey of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The InChIKey is LBCMQDNCMVWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O/c13-8-3-10(12-14-7-15-19(12)5-8)16-11-4-9-6-20-2-1-18(9)17-11/h3-5,7H,1-2,6H2,(H,16,17).
What are the key properties of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine has a molecular weight of 335.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is sourced from PubChem (CID 118466933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).