N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine

C25H30N6O — CID 59590127

IUPACN',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)ccn1
InChIInChI=1S/C25H30N6O/c1-4-30(5-2)16-15-27-23-17-19(13-14-26-23)18-24-28-25-8-6-7-22(31(25)29-24)20-9-11-21(32-3)12-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,26,27)
InChIKeyDYRIJGOQRFOQCG-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.14
Rot. Bonds10

About N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine

N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 59590127) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID59590127
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)ccn1
InChIInChI=1S/C25H30N6O/c1-4-30(5-2)16-15-27-23-17-19(13-14-26-23)18-24-28-25-8-6-7-22(31(25)29-24)20-9-11-21(32-3)12-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,26,27)
InChIKeyDYRIJGOQRFOQCG-UHFFFAOYSA-N
XLogP4.14
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine (CID 59590127) is N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine is CCN(CC)CCNc1cc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)ccn1.
What is the InChIKey of N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is DYRIJGOQRFOQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-4-30(5-2)16-15-27-23-17-19(13-14-26-23)18-24-28-25-8-6-7-22(31(25)29-24)20-9-11-21(32-3)12-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,26,27).
What are the key properties of N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine?
N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 430.56 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 59590127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).