6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H17FN4 — CID 114174358

IUPAC6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCC(C)(CC)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H17FN4/c1-4-12(3,5-2)15-11-14-10-7-6-9(13)8-17(10)16-11/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyLRYDYCSJDGKMAP-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.86
Rot. Bonds4

About 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114174358) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114174358
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCC(C)(CC)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H17FN4/c1-4-12(3,5-2)15-11-14-10-7-6-9(13)8-17(10)16-11/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyLRYDYCSJDGKMAP-UHFFFAOYSA-N
XLogP2.86
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310784
1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 112670728
6-fluoro-N-octan-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026408
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 103292828
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107234508
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
CID 80698401
6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106326077
6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106430620

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114174358) is 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCC(C)(CC)Nc1nc2ccc(F)cn2n1.
What is the InChIKey of 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LRYDYCSJDGKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4/c1-4-12(3,5-2)15-11-14-10-7-6-9(13)8-17(10)16-11/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 236.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114174358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).