5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one

C7H14N4O — CID 20731877

IUPAC5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one
SMILESCCn1nc(N(C)C)n(C)c1=O
InChIInChI=1S/C7H14N4O/c1-5-11-7(12)10(4)6(8-11)9(2)3/h5H2,1-4H3
InChIKeyCUNZVWYPYBMHQL-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.33
Rot. Bonds2

About 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one

5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one (PubChem CID 20731877) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one
PubChem CID20731877
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one
SMILESCCn1nc(N(C)C)n(C)c1=O
InChIInChI=1S/C7H14N4O/c1-5-11-7(12)10(4)6(8-11)9(2)3/h5H2,1-4H3
InChIKeyCUNZVWYPYBMHQL-UHFFFAOYSA-N
XLogP-0.33
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Diethylamino)-1,1-diethyl-5-oxo-1,2,4-triazol-1-ium-3-olate
CID 6711185
4-amino-1-ethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 119031762
1,4-Diethyl-1,2,4-triazol-5-one
CID 59175718
4-Ethyl-5-fluoro-2-methyl-1,2,4-triazol-3-one
CID 178164510
3H-1,2,4-Triazol-3-one, 2,4-diethyl-2,4-dihydro-5-methoxy-
CID 593554
2-(2-Fluoroethyl)-4-methyl-1,2,4-triazol-3-one
CID 116626793
1,1-Diethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-ium-3-olate
CID 24193914
4-Ethyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 12033996
1-Ethyl-4-methyl-1H-1,2,4-triazol-5(4H)-one
CID 12033997
2-Ethyl-4,5-dimethyl-1,2,4-triazol-3-one
CID 20731847
2-Ethyl-5-methoxy-4-methyl-1,2,4-triazol-3-one
CID 20731855
5-Bromo-2-ethyl-4-methyl-1,2,4-triazol-3-one
CID 20731873

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one (CID 20731877) is 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one is CCn1nc(N(C)C)n(C)c1=O.
What is the InChIKey of 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one?
The InChIKey is CUNZVWYPYBMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5-11-7(12)10(4)6(8-11)9(2)3/h5H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one?
5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one has a molecular weight of 170.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-ethyl-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 20731877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).