3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C10H15N7 — CID 134147161

IUPAC3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCC(C)c1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C10H15N7/c1-7(2)8-11-12-9-13-14-10(15-17(8)9)16-5-3-4-6-16/h7H,3-6H2,1-2H3
InChIKeyBQZOMKCAVHLWBE-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.64
Rot. Bonds2

About 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134147161) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134147161
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCC(C)c1nnc2nnc(N3CCCC3)nn12
InChIInChI=1S/C10H15N7/c1-7(2)8-11-12-9-13-14-10(15-17(8)9)16-5-3-4-6-16/h7H,3-6H2,1-2H3
InChIKeyBQZOMKCAVHLWBE-UHFFFAOYSA-N
XLogP0.64
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134147161) is 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is CC(C)c1nnc2nnc(N3CCCC3)nn12.
What is the InChIKey of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is BQZOMKCAVHLWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-7(2)8-11-12-9-13-14-10(15-17(8)9)16-5-3-4-6-16/h7H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 233.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134147161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).