N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C12H20N4O3 — CID 110007754

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC2CCCCC2CO)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-8-13-16(12(15)19)6-11(18)14-10-5-3-2-4-9(10)7-17/h8-10,17H,2-7H2,1H3,(H,14,18)
InChIKeyJULQRGGFYDIVDY-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.75
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007754) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007754
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC2CCCCC2CO)c1=O
InChIInChI=1S/C12H20N4O3/c1-15-8-13-16(12(15)19)6-11(18)14-10-5-3-2-4-9(10)7-17/h8-10,17H,2-7H2,1H3,(H,14,18)
InChIKeyJULQRGGFYDIVDY-UHFFFAOYSA-N
XLogP-0.75
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007754) is N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NC2CCCCC2CO)c1=O.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is JULQRGGFYDIVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15-8-13-16(12(15)19)6-11(18)14-10-5-3-2-4-9(10)7-17/h8-10,17H,2-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).