N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride

C5H3Cl3N4O — CID 54258198

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl3N4O/c1-12(4(8)13)5-10-2(6)9-3(7)11-5/h1H3
InChIKeyRBOCCSQTEJOLSC-UHFFFAOYSA-N
MW241.47 g/mol
LogP1.97
Rot. Bonds1

About N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride (PubChem CID 54258198) has the molecular formula C5H3Cl3N4O and a molecular weight of 241.47 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride
PubChem CID54258198
Molecular FormulaC5H3Cl3N4O
Molecular Weight241.47 g/mol
Exact Mass239.94
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H3Cl3N4O/c1-12(4(8)13)5-10-2(6)9-3(7)11-5/h1H3
InChIKeyRBOCCSQTEJOLSC-UHFFFAOYSA-N
XLogP1.97
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
CID 19736187
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 20036841
N-(2,4-dichloro-s-triazin-6-yl)-N-methyl-urea
CID 21558473
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 53655900
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 54266606
N-methyl-N-(1,3,5-triazin-2-yl)carbamoyl chloride
CID 87568764
3-(4,6-Dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea
CID 21173
1-(4,6-Dichloro-1,3,5-triazin-2-yl)-3-methylurea
CID 119091246
4-chloro-6-isocyanato-N,N-dimethyl-1,3,5-triazin-2-amine
CID 119091576

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride (CID 54258198) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride?
The InChIKey is RBOCCSQTEJOLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3N4O/c1-12(4(8)13)5-10-2(6)9-3(7)11-5/h1H3.
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride?
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride has a molecular weight of 241.47 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 54258198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).