4,6-dimethyl-5-propan-2-yltriazine

C8H13N3 — CID 118243063

IUPAC4,6-dimethyl-5-propan-2-yltriazine
SMILESCc1nnnc(C)c1C(C)C
InChIInChI=1S/C8H13N3/c1-5(2)8-6(3)9-11-10-7(8)4/h5H,1-4H3
InChIKeyXOOVXJDLXMEJCJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds1

About 4,6-dimethyl-5-propan-2-yltriazine

4,6-dimethyl-5-propan-2-yltriazine (PubChem CID 118243063) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,6-dimethyl-5-propan-2-yltriazine.

Molecular Properties

Compound Name4,6-dimethyl-5-propan-2-yltriazine
PubChem CID118243063
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4,6-dimethyl-5-propan-2-yltriazine
SMILESCc1nnnc(C)c1C(C)C
InChIInChI=1S/C8H13N3/c1-5(2)8-6(3)9-11-10-7(8)4/h5H,1-4H3
InChIKeyXOOVXJDLXMEJCJ-UHFFFAOYSA-N
XLogP1.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-propan-2-yltriazine?
The IUPAC name of 4,6-dimethyl-5-propan-2-yltriazine (CID 118243063) is 4,6-dimethyl-5-propan-2-yltriazine.
What is the SMILES notation for 4,6-dimethyl-5-propan-2-yltriazine?
The canonical SMILES for 4,6-dimethyl-5-propan-2-yltriazine is Cc1nnnc(C)c1C(C)C.
What is the InChIKey of 4,6-dimethyl-5-propan-2-yltriazine?
The InChIKey is XOOVXJDLXMEJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5(2)8-6(3)9-11-10-7(8)4/h5H,1-4H3.
What are the key properties of 4,6-dimethyl-5-propan-2-yltriazine?
4,6-dimethyl-5-propan-2-yltriazine has a molecular weight of 151.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-propan-2-yltriazine is sourced from PubChem (CID 118243063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).