N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine

C13H19N5O — CID 80635766

IUPACN-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-n2nc(C)nc2C)nc1
InChIInChI=1S/C13H19N5O/c1-10-16-11(2)18(17-10)13-5-4-12(9-15-13)8-14-6-7-19-3/h4-5,9,14H,6-8H2,1-3H3
InChIKeyZMPGXTULTZMAQD-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.02
Rot. Bonds6

About N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 80635766) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID80635766
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-n2nc(C)nc2C)nc1
InChIInChI=1S/C13H19N5O/c1-10-16-11(2)18(17-10)13-5-4-12(9-15-13)8-14-6-7-19-3/h4-5,9,14H,6-8H2,1-3H3
InChIKeyZMPGXTULTZMAQD-UHFFFAOYSA-N
XLogP1.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62294997
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670459
N-[[6-(1,3-dihydroisoindol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80637880
N-[[6-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636263
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 115560699
1-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]imidazole-4,5-dicarbonitrile
CID 115944840
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636085
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114854395
N,N-diethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80628259
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 80635766) is N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(-n2nc(C)nc2C)nc1.
What is the InChIKey of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is ZMPGXTULTZMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-16-11(2)18(17-10)13-5-4-12(9-15-13)8-14-6-7-19-3/h4-5,9,14H,6-8H2,1-3H3.
What are the key properties of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80635766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).