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

C11H16F2N4O2 — CID 164636174

IUPACN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC[C@H]2CCCC2(F)F)c1=O
InChIInChI=1S/C11H16F2N4O2/c1-16-7-15-17(10(16)19)6-9(18)14-5-8-3-2-4-11(8,12)13/h7-8H,2-6H2,1H3,(H,14,18)/t8-/m1/s1
InChIKeyHMJFPMLWNWGQNP-MRVPVSSYSA-N
MW274.27 g/mol
LogP0.13
Rot. Bonds4

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

N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 164636174) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID164636174
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC[C@H]2CCCC2(F)F)c1=O
InChIInChI=1S/C11H16F2N4O2/c1-16-7-15-17(10(16)19)6-9(18)14-5-8-3-2-4-11(8,12)13/h7-8H,2-6H2,1H3,(H,14,18)/t8-/m1/s1
InChIKeyHMJFPMLWNWGQNP-MRVPVSSYSA-N
XLogP0.13
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 164636174) is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NC[C@H]2CCCC2(F)F)c1=O.
What is the InChIKey of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is HMJFPMLWNWGQNP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c1-16-7-15-17(10(16)19)6-9(18)14-5-8-3-2-4-11(8,12)13/h7-8H,2-6H2,1H3,(H,14,18)/t8-/m1/s1.
What are the key properties of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 274.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 164636174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).