N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C10H18N4O2 — CID 115774483

IUPACN-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-8(2)4-5-11-9(15)6-14-10(16)13(3)7-12-14/h7-8H,4-6H2,1-3H3,(H,11,15)
InChIKeyHIQINLGYIFBPHU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.26
Rot. Bonds5

About N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 115774483) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID115774483
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-8(2)4-5-11-9(15)6-14-10(16)13(3)7-12-14/h7-8H,4-6H2,1-3H3,(H,11,15)
InChIKeyHIQINLGYIFBPHU-UHFFFAOYSA-N
XLogP-0.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 115774483) is N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CC(C)CCNC(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is HIQINLGYIFBPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)4-5-11-9(15)6-14-10(16)13(3)7-12-14/h7-8H,4-6H2,1-3H3,(H,11,15).
What are the key properties of N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115774483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).