N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

C8H14N4O2 — CID 136932664

IUPACN,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-5(2)7(13)12(3)4-6-9-8(14)11-10-6/h5H,4H2,1-3H3,(H2,9,10,11,14)
InChIKeyHXQKOPTZWZWSLX-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.29
Rot. Bonds3

About N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 136932664) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID136932664
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(C)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-5(2)7(13)12(3)4-6-9-8(14)11-10-6/h5H,4H2,1-3H3,(H2,9,10,11,14)
InChIKeyHXQKOPTZWZWSLX-UHFFFAOYSA-N
XLogP-0.29
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (CID 136932664) is N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)C(=O)N(C)Cc1n[nH]c(=O)[nH]1.
What is the InChIKey of N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is HXQKOPTZWZWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)7(13)12(3)4-6-9-8(14)11-10-6/h5H,4H2,1-3H3,(H2,9,10,11,14).
What are the key properties of N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 136932664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).