1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

C12H17FN4O2 — CID 106257640

IUPAC1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H17FN4O2/c1-12(18,5-6-19-2)8-14-11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,18H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyMUMSMYRWRJRJNY-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.07
Rot. Bonds6

About 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257640) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257640
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H17FN4O2/c1-12(18,5-6-19-2)8-14-11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,18H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyMUMSMYRWRJRJNY-UHFFFAOYSA-N
XLogP1.07
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

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Related Compounds

1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 103292828
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 112670728
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310784
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107234508
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
CID 134161141
2,3-difluoro-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]benzoic acid
CID 106257639
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106257640) is 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1nc2ccc(F)cn2n1.
What is the InChIKey of 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is MUMSMYRWRJRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-12(18,5-6-19-2)8-14-11-15-10-4-3-9(13)7-17(10)16-11/h3-4,7,18H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 268.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).