2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine

C7H7Cl2N3O — CID 62859408

IUPAC2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OCC2CC2)n1
InChIInChI=1S/C7H7Cl2N3O/c8-5-10-6(9)12-7(11-5)13-3-4-1-2-4/h4H,1-3H2
InChIKeyJBSOFXKKFWNFNH-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.97
Rot. Bonds3

About 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine

2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine (PubChem CID 62859408) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine
PubChem CID62859408
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OCC2CC2)n1
InChIInChI=1S/C7H7Cl2N3O/c8-5-10-6(9)12-7(11-5)13-3-4-1-2-4/h4H,1-3H2
InChIKeyJBSOFXKKFWNFNH-UHFFFAOYSA-N
XLogP1.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2,4-Dichloro-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine
CID 121409420
2,4-dichloro-6-{[(1R)-2,2-difluorocyclopropyl]methoxy}-1,3,5-triazine
CID 121409428
2,4-dichloro-6-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine
CID 125480083
2,4-Dichloro-6-(3-methylbutoxy)-1,3,5-triazine
CID 62859406
2,4-Dichloro-6-(2-methylpropoxy)-1,3,5-triazine
CID 35625
CID 58766107
CID 58766107
2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine
CID 142054731
2,4-Dichloro-6-cyclopropyloxy-1,3,5-triazine
CID 155226394
4,6-Dichloro-2-(ethoxy-d5)-triazine
CID 45788871

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine (CID 62859408) is 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine is Clc1nc(Cl)nc(OCC2CC2)n1.
What is the InChIKey of 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine?
The InChIKey is JBSOFXKKFWNFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c8-5-10-6(9)12-7(11-5)13-3-4-1-2-4/h4H,1-3H2.
What are the key properties of 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine?
2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine has a molecular weight of 220.06 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine is sourced from PubChem (CID 62859408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).