3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol

C12H17BrN4O — CID 114156336

IUPAC3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H17BrN4O/c1-11(2,12(3,4)18)15-10-14-9-6-5-8(13)7-17(9)16-10/h5-7,18H,1-4H3,(H,15,16)
InChIKeyWKWZRDLDDAHPSM-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.45
Rot. Bonds3

About 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol

3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 114156336) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID114156336
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C12H17BrN4O/c1-11(2,12(3,4)18)15-10-14-9-6-5-8(13)7-17(9)16-10/h5-7,18H,1-4H3,(H,15,16)
InChIKeyWKWZRDLDDAHPSM-UHFFFAOYSA-N
XLogP2.45
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol (CID 114156336) is 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1nc2ccc(Br)cn2n1.
What is the InChIKey of 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is WKWZRDLDDAHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-11(2,12(3,4)18)15-10-14-9-6-5-8(13)7-17(9)16-10/h5-7,18H,1-4H3,(H,15,16).
What are the key properties of 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 313.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114156336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).