4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide

C11H12ClN7O2 — CID 83098938

IUPAC4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H12ClN7O2/c12-9-15-10(18-2-1-14-6-18)17-11(16-9)19-3-4-21-5-7(19)8(13)20/h1-2,6-7H,3-5H2,(H2,13,20)
InChIKeyMWTLWHAGKNYMQK-UHFFFAOYSA-N
MW309.72 g/mol
LogP-0.60
Rot. Bonds3

About 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide

4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide (PubChem CID 83098938) has the molecular formula C11H12ClN7O2 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
PubChem CID83098938
Molecular FormulaC11H12ClN7O2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H12ClN7O2/c12-9-15-10(18-2-1-14-6-18)17-11(16-9)19-3-4-21-5-7(19)8(13)20/h1-2,6-7H,3-5H2,(H2,13,20)
InChIKeyMWTLWHAGKNYMQK-UHFFFAOYSA-N
XLogP-0.60
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
4-(6-chloropyrazin-2-yl)morpholine-3-carboxamide
CID 83095551
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
4-(4-cyanopyridazin-3-yl)morpholine-3-carboxamide
CID 83102200
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83095941

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide (CID 83098938) is 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide?
The InChIKey is MWTLWHAGKNYMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN7O2/c12-9-15-10(18-2-1-14-6-18)17-11(16-9)19-3-4-21-5-7(19)8(13)20/h1-2,6-7H,3-5H2,(H2,13,20).
What are the key properties of 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide?
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide has a molecular weight of 309.72 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83098938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).