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

C6H12N4O — CID 22973889

IUPAC4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1N(C)C
InChIInChI=1S/C6H12N4O/c1-5-7-9(4)6(11)10(5)8(2)3/h1-4H3
InChIKeyOJKOXBWGTXJYFX-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.91
Rot. Bonds1

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

4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one (PubChem CID 22973889) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one
PubChem CID22973889
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1N(C)C
InChIInChI=1S/C6H12N4O/c1-5-7-9(4)6(11)10(5)8(2)3/h1-4H3
InChIKeyOJKOXBWGTXJYFX-UHFFFAOYSA-N
XLogP-0.91
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one (CID 22973889) is 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one is Cc1nn(C)c(=O)n1N(C)C.
What is the InChIKey of 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one?
The InChIKey is OJKOXBWGTXJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-5-7-9(4)6(11)10(5)8(2)3/h1-4H3.
What are the key properties of 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one?
4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one has a molecular weight of 156.19 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 22973889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).