N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C10H18N4O3 — CID 110007641

IUPACN-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCCC(O)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-3-4-8(15)5-11-9(16)6-14-10(17)13(2)7-12-14/h7-8,15H,3-6H2,1-2H3,(H,11,16)
InChIKeyIWDPUGPYBCWIRJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.14
Rot. Bonds6

About N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007641) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007641
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCCC(O)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-3-4-8(15)5-11-9(16)6-14-10(17)13(2)7-12-14/h7-8,15H,3-6H2,1-2H3,(H,11,16)
InChIKeyIWDPUGPYBCWIRJ-UHFFFAOYSA-N
XLogP-1.14
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007641) is N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CCCC(O)CNC(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is IWDPUGPYBCWIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-4-8(15)5-11-9(16)6-14-10(17)13(2)7-12-14/h7-8,15H,3-6H2,1-2H3,(H,11,16).
What are the key properties of N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 242.28 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).