2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine

C15H23N3 — CID 170938057

IUPAC2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine
SMILESCC(C)c1cnn2c(C(C)C)cc(C(C)C)c2n1
InChIInChI=1S/C15H23N3/c1-9(2)12-7-14(11(5)6)18-15(12)17-13(8-16-18)10(3)4/h7-11H,1-6H3
InChIKeyJFZFEENFAHGISS-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.10
Rot. Bonds3

About 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine

2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine (PubChem CID 170938057) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine
PubChem CID170938057
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine
SMILESCC(C)c1cnn2c(C(C)C)cc(C(C)C)c2n1
InChIInChI=1S/C15H23N3/c1-9(2)12-7-14(11(5)6)18-15(12)17-13(8-16-18)10(3)4/h7-11H,1-6H3
InChIKeyJFZFEENFAHGISS-UHFFFAOYSA-N
XLogP4.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine?
The IUPAC name of 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine (CID 170938057) is 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine is CC(C)c1cnn2c(C(C)C)cc(C(C)C)c2n1.
What is the InChIKey of 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine?
The InChIKey is JFZFEENFAHGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9(2)12-7-14(11(5)6)18-15(12)17-13(8-16-18)10(3)4/h7-11H,1-6H3.
What are the key properties of 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine?
2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine has a molecular weight of 245.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-tri(propan-2-yl)pyrrolo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 170938057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).