2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine

C13H22ClN3 — CID 88916637

IUPAC2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine
SMILESCCC(C)(C)c1nc(Cl)nc(C(C)(C)CC)n1
InChIInChI=1S/C13H22ClN3/c1-7-12(3,4)9-15-10(13(5,6)8-2)17-11(14)16-9/h7-8H2,1-6H3
InChIKeyVFPAIBSHSVFNFP-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine

2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine (PubChem CID 88916637) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine
PubChem CID88916637
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine
SMILESCCC(C)(C)c1nc(Cl)nc(C(C)(C)CC)n1
InChIInChI=1S/C13H22ClN3/c1-7-12(3,4)9-15-10(13(5,6)8-2)17-11(14)16-9/h7-8H2,1-6H3
InChIKeyVFPAIBSHSVFNFP-UHFFFAOYSA-N
XLogP3.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Tri(propan-2-yl)-1,3,5-triazine
CID 32829
2-Chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
CID 87676010
2-Chloro-4,6-diethyl-1,3,5-triazine
CID 12795
2,4,6-Tritert-butyl-1,3,5-triazine
CID 12208120
2-Methyl-4,6-di(propan-2-yl)-1,3,5-triazine
CID 12269919
2-(Tert-butyl)-4,6-dichloro-1,3,5-triazine
CID 15325922
4,6-Di-t-butyl-1,3,5-triazin-2-amine
CID 63869153
2,4-Di-tert-butyl-6-chloro-1,3,5-triazine
CID 88683366
2-Chloro-4,6-bis(3-ethylpentan-3-yl)-1,3,5-triazine
CID 122487882
2,4,6-Tripropyl-1,3,5-triazine
CID 13914
2,4-Dimethyl-6-propyl-1,3,5-triazine
CID 24206
2,4-Dimethyl-6-(2-methylpropyl)-1,3,5-triazine
CID 35161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine (CID 88916637) is 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine is CCC(C)(C)c1nc(Cl)nc(C(C)(C)CC)n1.
What is the InChIKey of 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine?
The InChIKey is VFPAIBSHSVFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-7-12(3,4)9-15-10(13(5,6)8-2)17-11(14)16-9/h7-8H2,1-6H3.
What are the key properties of 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine?
2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine has a molecular weight of 255.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(2-methylbutan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 88916637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).