4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide

C11H15Cl2N5O2 — CID 83103198

IUPAC4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1nc(Cl)nnc1Cl
InChIInChI=1S/C11H15Cl2N5O2/c1-2-3-14-10(19)7-6-20-5-4-18(7)9-8(12)16-17-11(13)15-9/h7H,2-6H2,1H3,(H,14,19)
InChIKeyNJXCFBVGWZQRPK-UHFFFAOYSA-N
MW320.18 g/mol
LogP0.91
Rot. Bonds4

About 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide

4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide (PubChem CID 83103198) has the molecular formula C11H15Cl2N5O2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
PubChem CID83103198
Molecular FormulaC11H15Cl2N5O2
Molecular Weight320.18 g/mol
Exact Mass319.06
IUPAC Name4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1nc(Cl)nnc1Cl
InChIInChI=1S/C11H15Cl2N5O2/c1-2-3-14-10(19)7-6-20-5-4-18(7)9-8(12)16-17-11(13)15-9/h7H,2-6H2,1H3,(H,14,19)
InChIKeyNJXCFBVGWZQRPK-UHFFFAOYSA-N
XLogP0.91
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-propylmorpholine-3-carboxamide
CID 83101398
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83098821

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide (CID 83103198) is 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1nc(Cl)nnc1Cl.
What is the InChIKey of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide?
The InChIKey is NJXCFBVGWZQRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N5O2/c1-2-3-14-10(19)7-6-20-5-4-18(7)9-8(12)16-17-11(13)15-9/h7H,2-6H2,1H3,(H,14,19).
What are the key properties of 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide?
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83103198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).