1,2,4,5,6-pentamethyltriazine

C8H15N3 — CID 175562486

IUPAC1,2,4,5,6-pentamethyltriazine
SMILESCC1=NN(C)N(C)C(C)=C1C
InChIInChI=1S/C8H15N3/c1-6-7(2)9-11(5)10(4)8(6)3/h1-5H3
InChIKeyXIWWBUHTHAJYDU-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.45
Rot. Bonds

About 1,2,4,5,6-pentamethyltriazine

1,2,4,5,6-pentamethyltriazine (PubChem CID 175562486) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,2,4,5,6-pentamethyltriazine.

Molecular Properties

Compound Name1,2,4,5,6-pentamethyltriazine
PubChem CID175562486
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1,2,4,5,6-pentamethyltriazine
SMILESCC1=NN(C)N(C)C(C)=C1C
InChIInChI=1S/C8H15N3/c1-6-7(2)9-11(5)10(4)8(6)3/h1-5H3
InChIKeyXIWWBUHTHAJYDU-UHFFFAOYSA-N
XLogP1.45
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6-pentamethyltriazine?
The IUPAC name of 1,2,4,5,6-pentamethyltriazine (CID 175562486) is 1,2,4,5,6-pentamethyltriazine.
What is the SMILES notation for 1,2,4,5,6-pentamethyltriazine?
The canonical SMILES for 1,2,4,5,6-pentamethyltriazine is CC1=NN(C)N(C)C(C)=C1C.
What is the InChIKey of 1,2,4,5,6-pentamethyltriazine?
The InChIKey is XIWWBUHTHAJYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-7(2)9-11(5)10(4)8(6)3/h1-5H3.
What are the key properties of 1,2,4,5,6-pentamethyltriazine?
1,2,4,5,6-pentamethyltriazine has a molecular weight of 153.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6-pentamethyltriazine is sourced from PubChem (CID 175562486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).