1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine

C24H28N6O2 — CID 123990415

IUPAC1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(N2CC(CN(Cc3ccccn3)Cc3ccccn3)=NN2C)c(OC)c1
InChIInChI=1S/C24H28N6O2/c1-28-27-21(18-30(28)23-11-10-22(31-2)14-24(23)32-3)17-29(15-19-8-4-6-12-25-19)16-20-9-5-7-13-26-20/h4-14H,15-18H2,1-3H3
InChIKeyYEJOHXGQZGWXJH-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.22
Rot. Bonds9

About 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine

1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine (PubChem CID 123990415) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
PubChem CID123990415
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(N2CC(CN(Cc3ccccn3)Cc3ccccn3)=NN2C)c(OC)c1
InChIInChI=1S/C24H28N6O2/c1-28-27-21(18-30(28)23-11-10-22(31-2)14-24(23)32-3)17-29(15-19-8-4-6-12-25-19)16-20-9-5-7-13-26-20/h4-14H,15-18H2,1-3H3
InChIKeyYEJOHXGQZGWXJH-UHFFFAOYSA-N
XLogP3.22
TPSA66.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
[4-methoxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]boronic acid
CID 65327432
1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine
CID 91839897
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 81299989
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46994572
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 135207665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine (CID 123990415) is 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine is COc1ccc(N2CC(CN(Cc3ccccn3)Cc3ccccn3)=NN2C)c(OC)c1.
What is the InChIKey of 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The InChIKey is YEJOHXGQZGWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-28-27-21(18-30(28)23-11-10-22(31-2)14-24(23)32-3)17-29(15-19-8-4-6-12-25-19)16-20-9-5-7-13-26-20/h4-14H,15-18H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine has a molecular weight of 432.53 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 123990415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).