4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen

C24H29N5O2 — CID 143788022

IUPAC4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen
SMILESCCN(CC)CCOc1ccc(Nc2nc3cccc(-c4ccc(O)cc4)n3n2)cc1.[H][H]
InChIInChI=1S/C24H27N5O2.H2/c1-3-28(4-2)16-17-31-21-14-10-19(11-15-21)25-24-26-23-7-5-6-22(29(23)27-24)18-8-12-20(30)13-9-18;/h5-15,30H,3-4,16-17H2,1-2H3,(H,25,27);1H
InChIKeyIFSJTURXROYEIZ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.81
Rot. Bonds9

About 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen

4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen (PubChem CID 143788022) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen.

Molecular Properties

Compound Name4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen
PubChem CID143788022
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen
SMILESCCN(CC)CCOc1ccc(Nc2nc3cccc(-c4ccc(O)cc4)n3n2)cc1.[H][H]
InChIInChI=1S/C24H27N5O2.H2/c1-3-28(4-2)16-17-31-21-14-10-19(11-15-21)25-24-26-23-7-5-6-22(29(23)27-24)18-8-12-20(30)13-9-18;/h5-15,30H,3-4,16-17H2,1-2H3,(H,25,27);1H
InChIKeyIFSJTURXROYEIZ-UHFFFAOYSA-N
XLogP4.81
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen?
The IUPAC name of 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen (CID 143788022) is 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen.
What is the SMILES notation for 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen?
The canonical SMILES for 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen is CCN(CC)CCOc1ccc(Nc2nc3cccc(-c4ccc(O)cc4)n3n2)cc1.[H][H].
What is the InChIKey of 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen?
The InChIKey is IFSJTURXROYEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.H2/c1-3-28(4-2)16-17-31-21-14-10-19(11-15-21)25-24-26-23-7-5-6-22(29(23)27-24)18-8-12-20(30)13-9-18;/h5-15,30H,3-4,16-17H2,1-2H3,(H,25,27);1H.
What are the key properties of 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen?
4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen has a molecular weight of 419.53 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(diethylamino)ethoxy]anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;molecular hydrogen is sourced from PubChem (CID 143788022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).