2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide

C15H24N6O2 — CID 131892509

IUPAC2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCn1ncc(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1C
InChIInChI=1S/C15H24N6O2/c1-5-6-20-10(2)11(8-17-20)14-18-13(7-12(16)22)19-21(14)9-15(3,4)23/h8,23H,5-7,9H2,1-4H3,(H2,16,22)
InChIKeyCHCAEQKCXCNWNH-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.66
Rot. Bonds7

About 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131892509) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131892509
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCn1ncc(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1C
InChIInChI=1S/C15H24N6O2/c1-5-6-20-10(2)11(8-17-20)14-18-13(7-12(16)22)19-21(14)9-15(3,4)23/h8,23H,5-7,9H2,1-4H3,(H2,16,22)
InChIKeyCHCAEQKCXCNWNH-UHFFFAOYSA-N
XLogP0.66
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide (CID 131892509) is 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide is CCCn1ncc(-c2nc(CC(N)=O)nn2CC(C)(C)O)c1C.
What is the InChIKey of 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CHCAEQKCXCNWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-5-6-20-10(2)11(8-17-20)14-18-13(7-12(16)22)19-21(14)9-15(3,4)23/h8,23H,5-7,9H2,1-4H3,(H2,16,22).
What are the key properties of 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-methylpropyl)-5-(5-methyl-1-propylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131892509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).