7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C20H27N3O — CID 141420513

IUPAC7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cn2cnnc2cc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O/c1-13(2)17-10-23-12-21-22-19(23)6-18(17)24-11-20-7-14-3-15(8-20)5-16(4-14)9-20/h6,10,12-16H,3-5,7-9,11H2,1-2H3
InChIKeyUGCHXXWYNIWZFP-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.45
Rot. Bonds4

About 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 141420513) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID141420513
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cn2cnnc2cc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O/c1-13(2)17-10-23-12-21-22-19(23)6-18(17)24-11-20-7-14-3-15(8-20)5-16(4-14)9-20/h6,10,12-16H,3-5,7-9,11H2,1-2H3
InChIKeyUGCHXXWYNIWZFP-UHFFFAOYSA-N
XLogP4.45
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 141420513) is 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1cn2cnnc2cc1OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UGCHXXWYNIWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)17-10-23-12-21-22-19(23)6-18(17)24-11-20-7-14-3-15(8-20)5-16(4-14)9-20/h6,10,12-16H,3-5,7-9,11H2,1-2H3.
What are the key properties of 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 325.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 141420513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).