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

C5H10N4O — CID 22908165

IUPAC4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one
SMILESCc1n[nH]c(=O)n1N(C)C
InChIInChI=1S/C5H10N4O/c1-4-6-7-5(10)9(4)8(2)3/h1-3H3,(H,7,10)
InChIKeyLMWSXAOZRCLLGR-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.92
Rot. Bonds1

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

4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one (PubChem CID 22908165) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one
PubChem CID22908165
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one
SMILESCc1n[nH]c(=O)n1N(C)C
InChIInChI=1S/C5H10N4O/c1-4-6-7-5(10)9(4)8(2)3/h1-3H3,(H,7,10)
InChIKeyLMWSXAOZRCLLGR-UHFFFAOYSA-N
XLogP-0.92
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one (CID 22908165) is 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one is Cc1n[nH]c(=O)n1N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is LMWSXAOZRCLLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4-6-7-5(10)9(4)8(2)3/h1-3H3,(H,7,10).
What are the key properties of 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one?
4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 22908165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).