4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol

C11H15BrN4O2 — CID 114163784

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc2c(Br)cccn2n1
InChIInChI=1S/C11H15BrN4O2/c1-18-7-8(17)4-5-13-11-14-10-9(12)3-2-6-16(10)15-11/h2-3,6,8,17H,4-5,7H2,1H3,(H,13,15)
InChIKeyBOSIHAOJULFMRN-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.30
Rot. Bonds6

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol (PubChem CID 114163784) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol
PubChem CID114163784
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc2c(Br)cccn2n1
InChIInChI=1S/C11H15BrN4O2/c1-18-7-8(17)4-5-13-11-14-10-9(12)3-2-6-16(10)15-11/h2-3,6,8,17H,4-5,7H2,1H3,(H,13,15)
InChIKeyBOSIHAOJULFMRN-UHFFFAOYSA-N
XLogP1.30
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol (CID 114163784) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1nc2c(Br)cccn2n1.
What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is BOSIHAOJULFMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-18-7-8(17)4-5-13-11-14-10-9(12)3-2-6-16(10)15-11/h2-3,6,8,17H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol?
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 315.17 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 114163784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).