2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide

C17H19ClN4O4 — CID 45273093

IUPAC2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C17H19ClN4O4/c18-13-5-4-11(22-16(25)21-14(23)9-20-22)8-12(13)15(24)19-10-17(26)6-2-1-3-7-17/h4-5,8-9,26H,1-3,6-7,10H2,(H,19,24)(H,21,23,25)
InChIKeyMIFNWOQKBBQBPY-UHFFFAOYSA-N
MW378.82 g/mol
LogP1.00
Rot. Bonds4

About 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide

2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 45273093) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID45273093
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C17H19ClN4O4/c18-13-5-4-11(22-16(25)21-14(23)9-20-22)8-12(13)15(24)19-10-17(26)6-2-1-3-7-17/h4-5,8-9,26H,1-3,6-7,10H2,(H,19,24)(H,21,23,25)
InChIKeyMIFNWOQKBBQBPY-UHFFFAOYSA-N
XLogP1.00
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]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 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 45273093) is 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1(O)CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is MIFNWOQKBBQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c18-13-5-4-11(22-16(25)21-14(23)9-20-22)8-12(13)15(24)19-10-17(26)6-2-1-3-7-17/h4-5,8-9,26H,1-3,6-7,10H2,(H,19,24)(H,21,23,25).
What are the key properties of 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide?
2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 378.82 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 45273093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).