(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C17H20N4O2 — CID 26697749

IUPAC(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1OC
InChIInChI=1S/C17H20N4O2/c1-12(17-20-19-16-6-4-5-9-21(16)17)18-11-13-7-8-14(22-2)15(10-13)23-3/h4-10,12,18H,11H2,1-3H3/t12-/m0/s1
InChIKeyLWDOVABJZAMUOB-LBPRGKRZSA-N
MW312.37 g/mol
LogP2.60
Rot. Bonds6

About (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 26697749) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID26697749
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1OC
InChIInChI=1S/C17H20N4O2/c1-12(17-20-19-16-6-4-5-9-21(16)17)18-11-13-7-8-14(22-2)15(10-13)23-3/h4-10,12,18H,11H2,1-3H3/t12-/m0/s1
InChIKeyLWDOVABJZAMUOB-LBPRGKRZSA-N
XLogP2.60
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine 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

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43230914
N-[(4-butoxy-3-ethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 119164163
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697735
2-methoxy-5-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]phenol
CID 56823178
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
CID 43230942
(1S)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97211230
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75419226
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide
CID 26697829
N-[[4-(difluoromethoxy)phenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919850
N-[(5-bromo-3-pyridinyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 104578543
(1R)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 94821999

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 26697749) is (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is COc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1OC.
What is the InChIKey of (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is LWDOVABJZAMUOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(17-20-19-16-6-4-5-9-21(16)17)18-11-13-7-8-14(22-2)15(10-13)23-3/h4-10,12,18H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 312.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 26697749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).