3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol

C11H15BrN4O2 — CID 114152099

IUPAC3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc2c(Br)cccn2n1
InChIInChI=1S/C11H15BrN4O2/c1-18-7-8(4-6-17)13-11-14-10-9(12)3-2-5-16(10)15-11/h2-3,5,8,17H,4,6-7H2,1H3,(H,13,15)
InChIKeyGWIVRWMFOSHMHF-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.30
Rot. Bonds6

About 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol

3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol (PubChem CID 114152099) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol
PubChem CID114152099
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc2c(Br)cccn2n1
InChIInChI=1S/C11H15BrN4O2/c1-18-7-8(4-6-17)13-11-14-10-9(12)3-2-5-16(10)15-11/h2-3,5,8,17H,4,6-7H2,1H3,(H,13,15)
InChIKeyGWIVRWMFOSHMHF-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

Analyze 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol with MolForge

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Related Compounds

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-1-methoxybutan-2-ol
CID 114163784
3-methoxy-2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-1-ol
CID 106192593
2-bromo-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzoic acid
CID 106162709
3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156328
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163039
4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
CID 106157813
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol
CID 106192575
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
CID 106163591
8-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106388840
[1-[[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclohexyl]methanol
CID 103967250
2-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]ethylurea
CID 83112416

Frequently Asked Questions

What is the IUPAC name of 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol (CID 114152099) is 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc2c(Br)cccn2n1.
What is the InChIKey of 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is GWIVRWMFOSHMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-18-7-8(4-6-17)13-11-14-10-9(12)3-2-5-16(10)15-11/h2-3,5,8,17H,4,6-7H2,1H3,(H,13,15).
What are the key properties of 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol?
3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-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 3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114152099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).