3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one

C6H12N4O — CID 136996780

IUPAC3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(C)CCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H12N4O/c1-10(2)4-3-5-7-6(11)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,11)
InChIKeyYMTDECZFTQFLGA-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.80
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136996780) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136996780
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(C)CCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H12N4O/c1-10(2)4-3-5-7-6(11)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,11)
InChIKeyYMTDECZFTQFLGA-UHFFFAOYSA-N
XLogP-0.80
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1H-1,2,4-triazol-5(4H)-one
CID 135449528
3-Ethyl-1,4-dihydro-1,2,4-triazol-5-one
CID 135489810
5-(3-aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one hydrochloride
CID 135966758
3-(2-aminoethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 135966760
3-(2-Aminoethyl)-1H-1,2,4-triazol-5(4H)-one
CID 135873057
5-(3-Aminopropyl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CID 135966759
5-(1-Amino-ethyl)-2,4-dihydro-[1,2,4]triazol-3-one
CID 135742573
3-ethyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 12235072
5-(2-Aminoethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
CID 51000361
3-(2-Aminoethyl)-2-methyl-1,4-dihydro-1,2,4-triazol-2-ium-5-one
CID 123805605
3-(Propylaminomethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135973756
5-(2-(Methylamino)ethyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
CID 136168643

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136996780) is 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one is CN(C)CCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is YMTDECZFTQFLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10(2)4-3-5-7-6(11)9-8-5/h3-4H2,1-2H3,(H2,7,8,9,11).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 156.19 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136996780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).