N-ethyl-4-(1,3,5-triazin-2-yl)benzamide

C12H12N4O — CID 68915705

IUPACN-ethyl-4-(1,3,5-triazin-2-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C12H12N4O/c1-2-14-12(17)10-5-3-9(4-6-10)11-15-7-13-8-16-11/h3-8H,2H2,1H3,(H,14,17)
InChIKeyZMQOUVRKOBXSRL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.29
Rot. Bonds3

About N-ethyl-4-(1,3,5-triazin-2-yl)benzamide

N-ethyl-4-(1,3,5-triazin-2-yl)benzamide (PubChem CID 68915705) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-ethyl-4-(1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1,3,5-triazin-2-yl)benzamide
PubChem CID68915705
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-ethyl-4-(1,3,5-triazin-2-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2ncncn2)cc1
InChIInChI=1S/C12H12N4O/c1-2-14-12(17)10-5-3-9(4-6-10)11-15-7-13-8-16-11/h3-8H,2H2,1H3,(H,14,17)
InChIKeyZMQOUVRKOBXSRL-UHFFFAOYSA-N
XLogP1.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,3,5-triazin-2-yl)benzamide?
The IUPAC name of N-ethyl-4-(1,3,5-triazin-2-yl)benzamide (CID 68915705) is N-ethyl-4-(1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for N-ethyl-4-(1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for N-ethyl-4-(1,3,5-triazin-2-yl)benzamide is CCNC(=O)c1ccc(-c2ncncn2)cc1.
What is the InChIKey of N-ethyl-4-(1,3,5-triazin-2-yl)benzamide?
The InChIKey is ZMQOUVRKOBXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-14-12(17)10-5-3-9(4-6-10)11-15-7-13-8-16-11/h3-8H,2H2,1H3,(H,14,17).
What are the key properties of N-ethyl-4-(1,3,5-triazin-2-yl)benzamide?
N-ethyl-4-(1,3,5-triazin-2-yl)benzamide has a molecular weight of 228.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 68915705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).