N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide

C12H14N4O2 — CID 157018801

IUPACN,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2nn(C)c(=O)[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-15(2)11(17)9-6-4-8(5-7-9)10-13-12(18)16(3)14-10/h4-7H,1-3H3,(H,13,14,18)
InChIKeyLGGOZYQJZYNSMS-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.48
Rot. Bonds2

About N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide

N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide (PubChem CID 157018801) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide
PubChem CID157018801
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2nn(C)c(=O)[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-15(2)11(17)9-6-4-8(5-7-9)10-13-12(18)16(3)14-10/h4-7H,1-3H3,(H,13,14,18)
InChIKeyLGGOZYQJZYNSMS-UHFFFAOYSA-N
XLogP0.48
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide (CID 157018801) is N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide is CN(C)C(=O)c1ccc(-c2nn(C)c(=O)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LGGOZYQJZYNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15(2)11(17)9-6-4-8(5-7-9)10-13-12(18)16(3)14-10/h4-7H,1-3H3,(H,13,14,18).
What are the key properties of N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide?
N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 157018801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).