N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine

C28H33N5O2 — CID 59589784

IUPACN-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C28H33N5O2/c1-3-32(4-2)15-7-14-29-23-9-5-8-21(18-23)19-27-30-28-11-6-10-24(33(28)31-27)22-12-13-25-26(20-22)35-17-16-34-25/h5-6,8-13,18,20,29H,3-4,7,14-17,19H2,1-2H3
InChIKeyWLWOAMKXBMEVEI-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.90
Rot. Bonds10

About N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine

N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 59589784) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID59589784
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1
InChIInChI=1S/C28H33N5O2/c1-3-32(4-2)15-7-14-29-23-9-5-8-21(18-23)19-27-30-28-11-6-10-24(33(28)31-27)22-12-13-25-26(20-22)35-17-16-34-25/h5-6,8-13,18,20,29H,3-4,7,14-17,19H2,1-2H3
InChIKeyWLWOAMKXBMEVEI-UHFFFAOYSA-N
XLogP4.90
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triazolopyridazine, 18
CID 42647289
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
Triazolopyridazine, 17
CID 44143459
3-(3,4-dimethoxyphenyl)-N5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145996543
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
2-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]ethyl-diethyl-amine
CID 9550178
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
3-(3,4-dimethoxyphenyl)-5-N-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145946131
4-(3-(3,4-Dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906449

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine (CID 59589784) is N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1cccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)c1.
What is the InChIKey of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is WLWOAMKXBMEVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-3-32(4-2)15-7-14-29-23-9-5-8-21(18-23)19-27-30-28-11-6-10-24(33(28)31-27)22-12-13-25-26(20-22)35-17-16-34-25/h5-6,8-13,18,20,29H,3-4,7,14-17,19H2,1-2H3.
What are the key properties of N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 471.61 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 59589784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).