N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide

C5H10N4O — CID 144946497

IUPACN-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CNNN1
InChIInChI=1S/C5H10N4O/c1-4(10)6-2-5-3-7-9-8-5/h3,7-9H,2H2,1H3,(H,6,10)
InChIKeyZXEMVAGMSVOPMO-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.42
Rot. Bonds2

About N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide

N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide (PubChem CID 144946497) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide
PubChem CID144946497
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CNNN1
InChIInChI=1S/C5H10N4O/c1-4(10)6-2-5-3-7-9-8-5/h3,7-9H,2H2,1H3,(H,6,10)
InChIKeyZXEMVAGMSVOPMO-UHFFFAOYSA-N
XLogP-1.42
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(thiiren-2-ylmethyl)acetamide
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CID 160759755
N-(1,3-oxazol-2-ylmethyl)acetamide
CID 89078638
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(5-propan-2-ylpyrimidin-2-yl)methyl]acetamide
CID 126671005
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide (CID 144946497) is N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide is CC(=O)NCC1=CNNN1.
What is the InChIKey of N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide?
The InChIKey is ZXEMVAGMSVOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4(10)6-2-5-3-7-9-8-5/h3,7-9H,2H2,1H3,(H,6,10).
What are the key properties of N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide?
N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide has a molecular weight of 142.16 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide is sourced from PubChem (CID 144946497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).