2-butoxy-1,2-dichloro-1,3,5-triazine

C7H11Cl2N3O — CID 19024995

IUPAC2-butoxy-1,2-dichloro-1,3,5-triazine
SMILESCCCCOC1(Cl)N=CN=CN1Cl
InChIInChI=1S/C7H11Cl2N3O/c1-2-3-4-13-7(8)11-5-10-6-12(7)9/h5-6H,2-4H2,1H3
InChIKeyBZWGPPRZDIWNBC-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.18
Rot. Bonds4

About 2-butoxy-1,2-dichloro-1,3,5-triazine

2-butoxy-1,2-dichloro-1,3,5-triazine (PubChem CID 19024995) has the molecular formula C7H11Cl2N3O and a molecular weight of 224.09 g/mol. Its IUPAC name is 2-butoxy-1,2-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-butoxy-1,2-dichloro-1,3,5-triazine
PubChem CID19024995
Molecular FormulaC7H11Cl2N3O
Molecular Weight224.09 g/mol
Exact Mass223.03
IUPAC Name2-butoxy-1,2-dichloro-1,3,5-triazine
SMILESCCCCOC1(Cl)N=CN=CN1Cl
InChIInChI=1S/C7H11Cl2N3O/c1-2-3-4-13-7(8)11-5-10-6-12(7)9/h5-6H,2-4H2,1H3
InChIKeyBZWGPPRZDIWNBC-UHFFFAOYSA-N
XLogP2.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-2,2-dichloro-1-methylcyclopropane
CID 23262419
1-butylperoxybutane;hydrate
CID 158567350
3-butoxy-3-methyldioxirane;titanium
CID 175327967
1,1-dibutoxycyclopentane
CID 18792031
dodecylmercury;hydrate
CID 78070234
tributoxy(chloro)germane
CID 22476945
5-butoxy-3-chloro-1,2,4-triazine
CID 114998193
1,1-dibutoxycyclooctane
CID 18791994
[bromo(dibutoxy)methyl]-methylsilane
CID 173219154
1-butylperoxybutane
CID 159275797
butoxy(chloro)tin;hydrate
CID 87093147
butoxy(tributyl)silane
CID 594608

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,2-dichloro-1,3,5-triazine?
The IUPAC name of 2-butoxy-1,2-dichloro-1,3,5-triazine (CID 19024995) is 2-butoxy-1,2-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-butoxy-1,2-dichloro-1,3,5-triazine?
The canonical SMILES for 2-butoxy-1,2-dichloro-1,3,5-triazine is CCCCOC1(Cl)N=CN=CN1Cl.
What is the InChIKey of 2-butoxy-1,2-dichloro-1,3,5-triazine?
The InChIKey is BZWGPPRZDIWNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2N3O/c1-2-3-4-13-7(8)11-5-10-6-12(7)9/h5-6H,2-4H2,1H3.
What are the key properties of 2-butoxy-1,2-dichloro-1,3,5-triazine?
2-butoxy-1,2-dichloro-1,3,5-triazine has a molecular weight of 224.09 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,2-dichloro-1,3,5-triazine is sourced from PubChem (CID 19024995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).