N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide

C12H15N4O3- — CID 88703727

IUPACN-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide
SMILESO=C(NCCO)c1ccc(C2=NCN([O-])CN2)cc1
InChIInChI=1S/C12H15N4O3/c17-6-5-13-12(18)10-3-1-9(2-4-10)11-14-7-16(19)8-15-11/h1-4,17H,5-8H2,(H,13,18)(H,14,15)/q-1
InChIKeyWODQWYAKWCZUJX-UHFFFAOYSA-N
MW263.28 g/mol
LogP-0.53
Rot. Bonds4

About N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide

N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide (PubChem CID 88703727) has the molecular formula C12H15N4O3- and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide
PubChem CID88703727
Molecular FormulaC12H15N4O3-
Molecular Weight263.28 g/mol
Exact Mass263.11
IUPAC NameN-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide
SMILESO=C(NCCO)c1ccc(C2=NCN([O-])CN2)cc1
InChIInChI=1S/C12H15N4O3/c17-6-5-13-12(18)10-3-1-9(2-4-10)11-14-7-16(19)8-15-11/h1-4,17H,5-8H2,(H,13,18)(H,14,15)/q-1
InChIKeyWODQWYAKWCZUJX-UHFFFAOYSA-N
XLogP-0.53
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide (CID 88703727) is N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide is O=C(NCCO)c1ccc(C2=NCN([O-])CN2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide?
The InChIKey is WODQWYAKWCZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N4O3/c17-6-5-13-12(18)10-3-1-9(2-4-10)11-14-7-16(19)8-15-11/h1-4,17H,5-8H2,(H,13,18)(H,14,15)/q-1.
What are the key properties of N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide?
N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide has a molecular weight of 263.28 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide is sourced from PubChem (CID 88703727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).