5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H25N5O2 — CID 68706149

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)C/C=C/c1cccc(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C25H25N5O2/c1-29(2)13-5-7-18-6-3-8-20(16-18)26-25-27-24-10-4-9-21(30(24)28-25)19-11-12-22-23(17-19)32-15-14-31-22/h3-12,16-17H,13-15H2,1-2H3,(H,26,28)/b7-5+
InChIKeySJNGJSWIOFIQGN-FNORWQNLSA-N
MW427.51 g/mol
LogP4.49
Rot. Bonds6

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 68706149) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID68706149
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)C/C=C/c1cccc(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C25H25N5O2/c1-29(2)13-5-7-18-6-3-8-20(16-18)26-25-27-24-10-4-9-21(30(24)28-25)19-11-12-22-23(17-19)32-15-14-31-22/h3-12,16-17H,13-15H2,1-2H3,(H,26,28)/b7-5+
InChIKeySJNGJSWIOFIQGN-FNORWQNLSA-N
XLogP4.49
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

bis(5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine);N,N-dimethylbutan-1-amine;(E)-N,N-dimethylbut-2-en-1-amine
CID 159481263
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
1-N-[2-(diethylamino)ethyl]-4-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzene-1,4-diamine
CID 70832470
1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]anilino]-2-pyrrolidin-1-ylpropan-1-ol
CID 126668187
2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide
CID 70832365
2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenoxy]propanamide
CID 70832468
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597961
5-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxan-2-yl)-N-[3-[3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68706151
3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 59590060
ethyl 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzenecarboximidate
CID 68587733
N,5-bis(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186265
(2R)-2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 59589947

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 68706149) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN(C)C/C=C/c1cccc(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SJNGJSWIOFIQGN-FNORWQNLSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-29(2)13-5-7-18-6-3-8-20(16-18)26-25-27-24-10-4-9-21(30(24)28-25)19-11-12-22-23(17-19)32-15-14-31-22/h3-12,16-17H,13-15H2,1-2H3,(H,26,28)/b7-5+.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 68706149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).