5-phenyl-4-propan-2-yltriazine

C12H13N3 — CID 134402600

IUPAC5-phenyl-4-propan-2-yltriazine
SMILESCC(C)c1nnncc1-c1ccccc1
InChIInChI=1S/C12H13N3/c1-9(2)12-11(8-13-15-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyJBOZOGUHAXOSNA-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.66
Rot. Bonds2

About 5-phenyl-4-propan-2-yltriazine

5-phenyl-4-propan-2-yltriazine (PubChem CID 134402600) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-phenyl-4-propan-2-yltriazine.

Molecular Properties

Compound Name5-phenyl-4-propan-2-yltriazine
PubChem CID134402600
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-phenyl-4-propan-2-yltriazine
SMILESCC(C)c1nnncc1-c1ccccc1
InChIInChI=1S/C12H13N3/c1-9(2)12-11(8-13-15-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyJBOZOGUHAXOSNA-UHFFFAOYSA-N
XLogP2.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propan-2-yltriazine?
The IUPAC name of 5-phenyl-4-propan-2-yltriazine (CID 134402600) is 5-phenyl-4-propan-2-yltriazine.
What is the SMILES notation for 5-phenyl-4-propan-2-yltriazine?
The canonical SMILES for 5-phenyl-4-propan-2-yltriazine is CC(C)c1nnncc1-c1ccccc1.
What is the InChIKey of 5-phenyl-4-propan-2-yltriazine?
The InChIKey is JBOZOGUHAXOSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9(2)12-11(8-13-15-14-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5-phenyl-4-propan-2-yltriazine?
5-phenyl-4-propan-2-yltriazine has a molecular weight of 199.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propan-2-yltriazine is sourced from PubChem (CID 134402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).