N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide

C10H16N4O2 — CID 43793298

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cncn1)C(C)C
InChIInChI=1S/C10H16N4O2/c1-7(2)10(8(3)15)13-9(16)4-14-6-11-5-12-14/h5-7,10H,4H2,1-3H3,(H,13,16)
InChIKeyPXMKXLDJRKBWET-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.01
Rot. Bonds5

About N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43793298) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43793298
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cncn1)C(C)C
InChIInChI=1S/C10H16N4O2/c1-7(2)10(8(3)15)13-9(16)4-14-6-11-5-12-14/h5-7,10H,4H2,1-3H3,(H,13,16)
InChIKeyPXMKXLDJRKBWET-UHFFFAOYSA-N
XLogP0.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029801
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 47020126
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94615339
2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide
CID 84597716
(2S)-2-(1,2,4-triazol-1-yl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]propanamide
CID 97612129
(2R)-2-(1,2,4-triazol-1-yl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]propanamide
CID 97612130

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 43793298) is N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide is CC(=O)C(NC(=O)Cn1cncn1)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PXMKXLDJRKBWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(2)10(8(3)15)13-9(16)4-14-6-11-5-12-14/h5-7,10H,4H2,1-3H3,(H,13,16).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43793298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).