8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H12BrN5O — CID 106388840

IUPAC8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cnc(C(C)Nc2nc3c(Br)cccn3n2)o1
InChIInChI=1S/C12H12BrN5O/c1-7-6-14-11(19-7)8(2)15-12-16-10-9(13)4-3-5-18(10)17-12/h3-6,8H,1-2H3,(H,15,17)
InChIKeyCJUVBKVVMACSHN-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.96
Rot. Bonds3

About 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106388840) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106388840
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cnc(C(C)Nc2nc3c(Br)cccn3n2)o1
InChIInChI=1S/C12H12BrN5O/c1-7-6-14-11(19-7)8(2)15-12-16-10-9(13)4-3-5-18(10)17-12/h3-6,8H,1-2H3,(H,15,17)
InChIKeyCJUVBKVVMACSHN-UHFFFAOYSA-N
XLogP2.96
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331
4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609
5-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 106388852
4-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106389489
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 106390355
8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104591764
3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol
CID 114152099
3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156328
1-methyl-3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 106387646
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106388840) is 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cnc(C(C)Nc2nc3c(Br)cccn3n2)o1.
What is the InChIKey of 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CJUVBKVVMACSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-7-6-14-11(19-7)8(2)15-12-16-10-9(13)4-3-5-18(10)17-12/h3-6,8H,1-2H3,(H,15,17).
What are the key properties of 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 322.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106388840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).