N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C22H22N6O — CID 101448872

IUPACN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1
InChIInChI=1S/C22H22N6O/c1-29-22-10-8-21(9-11-22)28-17-20(25-26-28)16-27(14-18-6-2-4-12-23-18)15-19-7-3-5-13-24-19/h2-13,17H,14-16H2,1H3
InChIKeyJYULHEUWFIXXFK-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.27
Rot. Bonds8

About N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 101448872) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID101448872
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCOc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1
InChIInChI=1S/C22H22N6O/c1-29-22-10-8-21(9-11-22)28-17-20(25-26-28)16-27(14-18-6-2-4-12-23-18)15-19-7-3-5-13-24-19/h2-13,17H,14-16H2,1H3
InChIKeyJYULHEUWFIXXFK-UHFFFAOYSA-N
XLogP3.27
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293510
N-cyano-N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971027
2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
(3R)-3-[4-(6-methoxy-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70675109
3-[1-[8-(2-Phenylphenoxy)octyl]triazol-4-yl]pyridine
CID 86305868
3-[1-[7-(2-Phenylphenoxy)heptyl]triazol-4-yl]pyridine
CID 86305869
3-[1-[6-(2-Phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
N-[1-(4-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484726
Pyrazolo[1,5-a]pyridine, 2-[[4-[4-(2-fluoroethoxy)phenyl]-1-piperazinyl]methyl]-
CID 24824063
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)H-pyrazolo[1,5-a]pyridine
CID 45273045
N,N-Diethyl-3-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)propan-1-amine
CID 45481891

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 101448872) is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is COc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is JYULHEUWFIXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-29-22-10-8-21(9-11-22)28-17-20(25-26-28)16-27(14-18-6-2-4-12-23-18)15-19-7-3-5-13-24-19/h2-13,17H,14-16H2,1H3.
What are the key properties of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 386.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 101448872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).