2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine

C8H12ClN3 — CID 87676010

IUPAC2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
SMILESCCc1nc(Cl)nc(C(C)C)n1
InChIInChI=1S/C8H12ClN3/c1-4-6-10-7(5(2)3)12-8(9)11-6/h5H,4H2,1-3H3
InChIKeyYJESVBNMYVWEER-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine

2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine (PubChem CID 87676010) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
PubChem CID87676010
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
SMILESCCc1nc(Cl)nc(C(C)C)n1
InChIInChI=1S/C8H12ClN3/c1-4-6-10-7(5(2)3)12-8(9)11-6/h5H,4H2,1-3H3
InChIKeyYJESVBNMYVWEER-UHFFFAOYSA-N
XLogP2.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine (CID 87676010) is 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine is CCc1nc(Cl)nc(C(C)C)n1.
What is the InChIKey of 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine?
The InChIKey is YJESVBNMYVWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-4-6-10-7(5(2)3)12-8(9)11-6/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine?
2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine has a molecular weight of 185.66 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 87676010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).