1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C14H15N5O — CID 114936363

IUPAC1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2nnc3ccccn23)cn1
InChIInChI=1S/C14H15N5O/c1-20-14-6-5-11(9-16-14)8-15-10-13-18-17-12-4-2-3-7-19(12)13/h2-7,9,15H,8,10H2,1H3
InChIKeyATUAXNJDNPOWTB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.42
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 114936363) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID114936363
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2nnc3ccccn23)cn1
InChIInChI=1S/C14H15N5O/c1-20-14-6-5-11(9-16-14)8-15-10-13-18-17-12-4-2-3-7-19(12)13/h2-7,9,15H,8,10H2,1H3
InChIKeyATUAXNJDNPOWTB-UHFFFAOYSA-N
XLogP1.42
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine with MolForge

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Related Compounds

1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
methyl 5-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]furan-2-carboxylate
CID 43222515
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119106619
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111013349
1-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111015156
1-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111013167
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
1-pyrazolo[1,5-a]pyridin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 63312006
N-[(6-methoxy-3-pyridinyl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 102625594
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 114936363) is 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is COc1ccc(CNCc2nnc3ccccn23)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is ATUAXNJDNPOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-20-14-6-5-11(9-16-14)8-15-10-13-18-17-12-4-2-3-7-19(12)13/h2-7,9,15H,8,10H2,1H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 269.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 114936363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).