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

C12H13FN6 — CID 107234508

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1c(CNc2nc3ccc(F)cn3n2)cnn1C
InChIInChI=1S/C12H13FN6/c1-8-9(6-15-18(8)2)5-14-12-16-11-4-3-10(13)7-19(11)17-12/h3-4,6-7H,5H2,1-2H3,(H,14,17)
InChIKeyWAFVTFRRYCKCCW-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.52
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 107234508) has the molecular formula C12H13FN6 and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID107234508
Molecular FormulaC12H13FN6
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1c(CNc2nc3ccc(F)cn3n2)cnn1C
InChIInChI=1S/C12H13FN6/c1-8-9(6-15-18(8)2)5-14-12-16-11-4-3-10(13)7-19(11)17-12/h3-4,6-7H,5H2,1-2H3,(H,14,17)
InChIKeyWAFVTFRRYCKCCW-UHFFFAOYSA-N
XLogP1.52
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 107234508) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1c(CNc2nc3ccc(F)cn3n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WAFVTFRRYCKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6/c1-8-9(6-15-18(8)2)5-14-12-16-11-4-3-10(13)7-19(11)17-12/h3-4,6-7H,5H2,1-2H3,(H,14,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 260.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 107234508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).