(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone

C13H17N5O2 — CID 154789681

IUPAC(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cnc3n[nH]nc3c2)C1
InChIInChI=1S/C13H17N5O2/c1-13(20-2)4-3-5-18(8-13)12(19)9-6-10-11(14-7-9)16-17-15-10/h6-7H,3-5,8H2,1-2H3,(H,14,15,16,17)
InChIKeyZSYQITHFLWXATC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.99
Rot. Bonds2

About (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone

(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 154789681) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID154789681
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cnc3n[nH]nc3c2)C1
InChIInChI=1S/C13H17N5O2/c1-13(20-2)4-3-5-18(8-13)12(19)9-6-10-11(14-7-9)16-17-15-10/h6-7H,3-5,8H2,1-2H3,(H,14,15,16,17)
InChIKeyZSYQITHFLWXATC-UHFFFAOYSA-N
XLogP0.99
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146
(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394875
(4-amino-3-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394866

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone (CID 154789681) is (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone is COC1(C)CCCN(C(=O)c2cnc3n[nH]nc3c2)C1.
What is the InChIKey of (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is ZSYQITHFLWXATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(20-2)4-3-5-18(8-13)12(19)9-6-10-11(14-7-9)16-17-15-10/h6-7H,3-5,8H2,1-2H3,(H,14,15,16,17).
What are the key properties of (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone?
(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 154789681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).