1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine

C15H22N6O — CID 138011687

IUPAC1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOCCn1c(-c2ccnn2C)nnc1N1CCC=C(C)C1
InChIInChI=1S/C15H22N6O/c1-12-5-4-8-20(11-12)15-18-17-14(21(15)9-10-22-3)13-6-7-16-19(13)2/h5-7H,4,8-11H2,1-3H3
InChIKeyOQZRNOFRUNCBEE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.48
Rot. Bonds5

About 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine

1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 138011687) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID138011687
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOCCn1c(-c2ccnn2C)nnc1N1CCC=C(C)C1
InChIInChI=1S/C15H22N6O/c1-12-5-4-8-20(11-12)15-18-17-14(21(15)9-10-22-3)13-6-7-16-19(13)2/h5-7H,4,8-11H2,1-3H3
InChIKeyOQZRNOFRUNCBEE-UHFFFAOYSA-N
XLogP1.48
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine (CID 138011687) is 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine is COCCn1c(-c2ccnn2C)nnc1N1CCC=C(C)C1.
What is the InChIKey of 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OQZRNOFRUNCBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-12-5-4-8-20(11-12)15-18-17-14(21(15)9-10-22-3)13-6-7-16-19(13)2/h5-7H,4,8-11H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine?
1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 302.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138011687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).