2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine

C10H15Cl2N3 — CID 69095431

IUPAC2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
SMILESCCCCCc1nc(CCl)nc(CCl)n1
InChIInChI=1S/C10H15Cl2N3/c1-2-3-4-5-8-13-9(6-11)15-10(7-12)14-8/h2-7H2,1H3
InChIKeyFUEHWCXZHGQWDZ-UHFFFAOYSA-N
MW248.16 g/mol
LogP3.08
Rot. Bonds6

About 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine

2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine (PubChem CID 69095431) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
PubChem CID69095431
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
SMILESCCCCCc1nc(CCl)nc(CCl)n1
InChIInChI=1S/C10H15Cl2N3/c1-2-3-4-5-8-13-9(6-11)15-10(7-12)14-8/h2-7H2,1H3
InChIKeyFUEHWCXZHGQWDZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
3-pentyl-2,4-diazabicyclo[3.1.0]hexa-1(6),2,4-triene;sulfuryl dichloride
CID 174611336
1-[4-(2-hydroxypentyl)-6-pentyl-1,3,5-triazin-2-yl]pentan-2-ol
CID 67042033
2-butyl-4,6-didodecylpyrimidine
CID 91545608
2-butyl-4,6-dihexylpyrimidine
CID 91010912

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine (CID 69095431) is 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine is CCCCCc1nc(CCl)nc(CCl)n1.
What is the InChIKey of 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine?
The InChIKey is FUEHWCXZHGQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3/c1-2-3-4-5-8-13-9(6-11)15-10(7-12)14-8/h2-7H2,1H3.
What are the key properties of 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine?
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine has a molecular weight of 248.16 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine is sourced from PubChem (CID 69095431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).