5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C18H24N4O2 — CID 131639439

IUPAC5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESC=CCOCC1c2nnn(C)c2CCN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H24N4O2/c1-4-11-24-13-17-18-16(21(2)20-19-18)9-10-22(17)12-14-5-7-15(23-3)8-6-14/h4-8,17H,1,9-13H2,2-3H3
InChIKeySMEABAFPJAXQLL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds7

About 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 131639439) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID131639439
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESC=CCOCC1c2nnn(C)c2CCN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H24N4O2/c1-4-11-24-13-17-18-16(21(2)20-19-18)9-10-22(17)12-14-5-7-15(23-3)8-6-14/h4-8,17H,1,9-13H2,2-3H3
InChIKeySMEABAFPJAXQLL-UHFFFAOYSA-N
XLogP2.13
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 131639439) is 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is C=CCOCC1c2nnn(C)c2CCN1Cc1ccc(OC)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is SMEABAFPJAXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-11-24-13-17-18-16(21(2)20-19-18)9-10-22(17)12-14-5-7-15(23-3)8-6-14/h4-8,17H,1,9-13H2,2-3H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 328.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 131639439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).