3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole

C16H27N5O — CID 72918531

IUPAC3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole
SMILESCCCn1nc(CCOC)nc1-c1cc(CC(C)C)nn1C
InChIInChI=1S/C16H27N5O/c1-6-8-21-16(17-15(19-21)7-9-22-5)14-11-13(10-12(2)3)18-20(14)4/h11-12H,6-10H2,1-5H3
InChIKeyFEIJIXFJCWBJCT-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.48
Rot. Bonds8

About 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole

3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole (PubChem CID 72918531) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole
PubChem CID72918531
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole
SMILESCCCn1nc(CCOC)nc1-c1cc(CC(C)C)nn1C
InChIInChI=1S/C16H27N5O/c1-6-8-21-16(17-15(19-21)7-9-22-5)14-11-13(10-12(2)3)18-20(14)4/h11-12H,6-10H2,1-5H3
InChIKeyFEIJIXFJCWBJCT-UHFFFAOYSA-N
XLogP2.48
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole (CID 72918531) is 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole is CCCn1nc(CCOC)nc1-c1cc(CC(C)C)nn1C.
What is the InChIKey of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole?
The InChIKey is FEIJIXFJCWBJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-6-8-21-16(17-15(19-21)7-9-22-5)14-11-13(10-12(2)3)18-20(14)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole?
3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole has a molecular weight of 305.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1-propyl-1,2,4-triazole is sourced from PubChem (CID 72918531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).