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

C27H31N5O2 — CID 68706151

IUPAC5-(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
SMILESCN(C)CC=Cc1cccc(Nc2nc3cccc(C4COCC(C5=CC=CCC5)O4)n3n2)c1
InChIInChI=1S/C27H31N5O2/c1-31(2)16-8-10-20-9-6-13-22(17-20)28-27-29-26-15-7-14-23(32(26)30-27)25-19-33-18-24(34-25)21-11-4-3-5-12-21/h3-4,6-11,13-15,17,24-25H,5,12,16,18-19H2,1-2H3,(H,28,30)
InChIKeyMIYJCSDURNXJBQ-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.78
Rot. Bonds7

About 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

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 (PubChem CID 68706151) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID68706151
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name5-(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
SMILESCN(C)CC=Cc1cccc(Nc2nc3cccc(C4COCC(C5=CC=CCC5)O4)n3n2)c1
InChIInChI=1S/C27H31N5O2/c1-31(2)16-8-10-20-9-6-13-22(17-20)28-27-29-26-15-7-14-23(32(26)30-27)25-19-33-18-24(34-25)21-11-4-3-5-12-21/h3-4,6-11,13-15,17,24-25H,5,12,16,18-19H2,1-2H3,(H,28,30)
InChIKeyMIYJCSDURNXJBQ-UHFFFAOYSA-N
XLogP4.78
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
N-phenyl-5-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276461
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
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
4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one
CID 141394365
4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]oxolan-3-ol
CID 67293668
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile
CID 68588332
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 59186261
3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
CID 59276258
3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186169

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CC=Cc1cccc(Nc2nc3cccc(C4COCC(C5=CC=CCC5)O4)n3n2)c1.
What is the InChIKey of 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?
The InChIKey is MIYJCSDURNXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-31(2)16-8-10-20-9-6-13-22(17-20)28-27-29-26-15-7-14-23(32(26)30-27)25-19-33-18-24(34-25)21-11-4-3-5-12-21/h3-4,6-11,13-15,17,24-25H,5,12,16,18-19H2,1-2H3,(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 457.58 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68706151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).