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

C16H18N4O — CID 43230914

IUPACN-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nnc3ccccn23)cc1
InChIInChI=1S/C16H18N4O/c1-12(16-19-18-15-5-3-4-10-20(15)16)17-11-13-6-8-14(21-2)9-7-13/h3-10,12,17H,11H2,1-2H3
InChIKeyHDKHVEJFNBCFNK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.59
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 43230914) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID43230914
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2nnc3ccccn23)cc1
InChIInChI=1S/C16H18N4O/c1-12(16-19-18-15-5-3-4-10-20(15)16)17-11-13-6-8-14(21-2)9-7-13/h3-10,12,17H,11H2,1-2H3
InChIKeyHDKHVEJFNBCFNK-UHFFFAOYSA-N
XLogP2.59
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919850
(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697749
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697735
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862
N-[(4-butoxy-3-ethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 119164163
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954364
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
CID 43230942
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511547
1-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 52511549
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
(1R)-N-[(2-chlorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697737

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 43230914) is N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is COc1ccc(CNC(C)c2nnc3ccccn23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is HDKHVEJFNBCFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(16-19-18-15-5-3-4-10-20(15)16)17-11-13-6-8-14(21-2)9-7-13/h3-10,12,17H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 43230914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).