1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole

C15H23N5O — CID 72878271

IUPAC1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole
SMILESCCn1nc(C2CCOCC2)nc1C(C)Cn1cccn1
InChIInChI=1S/C15H23N5O/c1-3-20-15(12(2)11-19-8-4-7-16-19)17-14(18-20)13-5-9-21-10-6-13/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3
InChIKeyZLYIWGIGRURMJO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds5

About 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole

1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole (PubChem CID 72878271) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole
PubChem CID72878271
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole
SMILESCCn1nc(C2CCOCC2)nc1C(C)Cn1cccn1
InChIInChI=1S/C15H23N5O/c1-3-20-15(12(2)11-19-8-4-7-16-19)17-14(18-20)13-5-9-21-10-6-13/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3
InChIKeyZLYIWGIGRURMJO-UHFFFAOYSA-N
XLogP2.19
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole (CID 72878271) is 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole is CCn1nc(C2CCOCC2)nc1C(C)Cn1cccn1.
What is the InChIKey of 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole?
The InChIKey is ZLYIWGIGRURMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-20-15(12(2)11-19-8-4-7-16-19)17-14(18-20)13-5-9-21-10-6-13/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3.
What are the key properties of 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole?
1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole has a molecular weight of 289.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxan-4-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 72878271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).