N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

C16H20N6O2 — CID 71973429

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESCc1cc(NC(=O)COc2nnc3ccccn23)n(C(C)(C)C)n1
InChIInChI=1S/C16H20N6O2/c1-11-9-13(22(20-11)16(2,3)4)17-14(23)10-24-15-19-18-12-7-5-6-8-21(12)15/h5-9H,10H2,1-4H3,(H,17,23)
InChIKeyNHZYCYJALYOJIP-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.01
Rot. Bonds4

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (PubChem CID 71973429) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
PubChem CID71973429
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
SMILESCc1cc(NC(=O)COc2nnc3ccccn23)n(C(C)(C)C)n1
InChIInChI=1S/C16H20N6O2/c1-11-9-13(22(20-11)16(2,3)4)17-14(23)10-24-15-19-18-12-7-5-6-8-21(12)15/h5-9H,10H2,1-4H3,(H,17,23)
InChIKeyNHZYCYJALYOJIP-UHFFFAOYSA-N
XLogP2.01
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide (CID 71973429) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is Cc1cc(NC(=O)COc2nnc3ccccn23)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
The InChIKey is NHZYCYJALYOJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-9-13(22(20-11)16(2,3)4)17-14(23)10-24-15-19-18-12-7-5-6-8-21(12)15/h5-9H,10H2,1-4H3,(H,17,23).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide has a molecular weight of 328.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide is sourced from PubChem (CID 71973429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).