2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine

C7H9Cl2N3O2 — CID 170449827

IUPAC2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCCCl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-13-6-10-5(9)11-7(12-6)14-4-2-3-8/h2-4H2,1H3
InChIKeyDRZRMGBOGYLACL-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.54
Rot. Bonds5

About 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine

2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine (PubChem CID 170449827) has the molecular formula C7H9Cl2N3O2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine
PubChem CID170449827
Molecular FormulaC7H9Cl2N3O2
Molecular Weight238.07 g/mol
Exact Mass237.01
IUPAC Name2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCCCl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-13-6-10-5(9)11-7(12-6)14-4-2-3-8/h2-4H2,1H3
InChIKeyDRZRMGBOGYLACL-UHFFFAOYSA-N
XLogP1.54
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Butoxy-4,6-dichloro-1,3,5-triazine
CID 26302
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
2-(2-Chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
CID 3638442
4-(2,3-Dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598552
2,4-Dichloro-6-(2-methylpropoxy)-1,3,5-triazine
CID 35625
2-Chloro-4-ethoxy-6-methoxy-1,3,5-triazine
CID 19010699
2-Chloro-4,6-dipropoxy-1,3,5-triazine
CID 22227779
2-Butan-2-yloxy-4,6-dichloro-1,3,5-triazine
CID 57757680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine (CID 170449827) is 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(OCCCCl)n1.
What is the InChIKey of 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is DRZRMGBOGYLACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2/c1-13-6-10-5(9)11-7(12-6)14-4-2-3-8/h2-4H2,1H3.
What are the key properties of 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 238.07 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloropropoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 170449827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).