2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine

C7H7Cl2N3O — CID 142054731

IUPAC2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine
SMILESCC1C[C@H]1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-3-2-4(3)13-7-11-5(8)10-6(9)12-7/h3-4H,2H2,1H3/t3?,4-/m1/s1
InChIKeyBRBGFAJHMVEJQG-SRBOSORUSA-N
MW220.06 g/mol
LogP1.97
Rot. Bonds2

About 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine

2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine (PubChem CID 142054731) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine
PubChem CID142054731
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine
SMILESCC1C[C@H]1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-3-2-4(3)13-7-11-5(8)10-6(9)12-7/h3-4H,2H2,1H3/t3?,4-/m1/s1
InChIKeyBRBGFAJHMVEJQG-SRBOSORUSA-N
XLogP1.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine (CID 142054731) is 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine is CC1C[C@H]1Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine?
The InChIKey is BRBGFAJHMVEJQG-SRBOSORUSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-3-2-4(3)13-7-11-5(8)10-6(9)12-7/h3-4H,2H2,1H3/t3?,4-/m1/s1.
What are the key properties of 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine?
2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine has a molecular weight of 220.06 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine is sourced from PubChem (CID 142054731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).