2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium

C12H20N5+ — CID 57467850

IUPAC2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNc1nn2ccccc2c1N
InChIInChI=1S/C12H20N5/c1-17(2,3)9-7-14-12-11(13)10-6-4-5-8-16(10)15-12/h4-6,8H,7,9,13H2,1-3H3,(H,14,15)/q+1
InChIKeyKYUKNBFDYMCJPO-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.03
Rot. Bonds4

About 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium

2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium (PubChem CID 57467850) has the molecular formula C12H20N5+ and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium
PubChem CID57467850
Molecular FormulaC12H20N5+
Molecular Weight234.33 g/mol
Exact Mass234.17
IUPAC Name2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNc1nn2ccccc2c1N
InChIInChI=1S/C12H20N5/c1-17(2,3)9-7-14-12-11(13)10-6-4-5-8-16(10)15-12/h4-6,8H,7,9,13H2,1-3H3,(H,14,15)/q+1
InChIKeyKYUKNBFDYMCJPO-UHFFFAOYSA-N
XLogP1.03
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium?
The IUPAC name of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium (CID 57467850) is 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium is C[N+](C)(C)CCNc1nn2ccccc2c1N.
What is the InChIKey of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium?
The InChIKey is KYUKNBFDYMCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N5/c1-17(2,3)9-7-14-12-11(13)10-6-4-5-8-16(10)15-12/h4-6,8H,7,9,13H2,1-3H3,(H,14,15)/q+1.
What are the key properties of 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium?
2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium has a molecular weight of 234.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium is sourced from PubChem (CID 57467850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).