3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine

C9H12N4 — CID 58532251

IUPAC3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine
SMILESCCCn1ccc2nnc(C)nc21
InChIInChI=1S/C9H12N4/c1-3-5-13-6-4-8-9(13)10-7(2)11-12-8/h4,6H,3,5H2,1-2H3
InChIKeyYOBZZWDBPKLRGH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.54
Rot. Bonds2

About 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine

3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine (PubChem CID 58532251) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine.

Molecular Properties

Compound Name3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine
PubChem CID58532251
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine
SMILESCCCn1ccc2nnc(C)nc21
InChIInChI=1S/C9H12N4/c1-3-5-13-6-4-8-9(13)10-7(2)11-12-8/h4,6H,3,5H2,1-2H3
InChIKeyYOBZZWDBPKLRGH-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine?
The IUPAC name of 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine (CID 58532251) is 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine.
What is the SMILES notation for 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine?
The canonical SMILES for 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine is CCCn1ccc2nnc(C)nc21.
What is the InChIKey of 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine?
The InChIKey is YOBZZWDBPKLRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-5-13-6-4-8-9(13)10-7(2)11-12-8/h4,6H,3,5H2,1-2H3.
What are the key properties of 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine?
3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine has a molecular weight of 176.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propylpyrrolo[2,3-e][1,2,4]triazine is sourced from PubChem (CID 58532251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).