2-tert-butyl-4-chloro-1,3,5-triazine

C7H10ClN3 — CID 58795800

IUPAC2-tert-butyl-4-chloro-1,3,5-triazine
SMILESCC(C)(C)c1ncnc(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-7(2,3)5-9-4-10-6(8)11-5/h4H,1-3H3
InChIKeyIORDUCIBYMFXQP-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.82
Rot. Bonds

About 2-tert-butyl-4-chloro-1,3,5-triazine

2-tert-butyl-4-chloro-1,3,5-triazine (PubChem CID 58795800) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1,3,5-triazine
PubChem CID58795800
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name2-tert-butyl-4-chloro-1,3,5-triazine
SMILESCC(C)(C)c1ncnc(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-7(2,3)5-9-4-10-6(8)11-5/h4H,1-3H3
InChIKeyIORDUCIBYMFXQP-UHFFFAOYSA-N
XLogP1.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-chloro-1,3,5-triazine (CID 58795800) is 2-tert-butyl-4-chloro-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-chloro-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-chloro-1,3,5-triazine is CC(C)(C)c1ncnc(Cl)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-1,3,5-triazine?
The InChIKey is IORDUCIBYMFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-7(2,3)5-9-4-10-6(8)11-5/h4H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-1,3,5-triazine?
2-tert-butyl-4-chloro-1,3,5-triazine has a molecular weight of 171.63 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1,3,5-triazine is sourced from PubChem (CID 58795800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).