1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride

C9H14Cl2N6 — CID 90187279

IUPAC1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6.2ClH/c10-7-1-3-14(5-7)8-9-13-12-6-15(9)4-2-11-8;;/h2,4,6-7H,1,3,5,10H2;2*1H
InChIKeyGLQMDOAGOMESMM-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.51
Rot. Bonds1

About 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride

1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 90187279) has the molecular formula C9H14Cl2N6 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride
PubChem CID90187279
Molecular FormulaC9H14Cl2N6
Molecular Weight277.16 g/mol
Exact Mass276.07
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6.2ClH/c10-7-1-3-14(5-7)8-9-13-12-6-15(9)4-2-11-8;;/h2,4,6-7H,1,3,5,10H2;2*1H
InChIKeyGLQMDOAGOMESMM-UHFFFAOYSA-N
XLogP0.51
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride (CID 90187279) is 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(c2nccn3cnnc23)C1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is GLQMDOAGOMESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6.2ClH/c10-7-1-3-14(5-7)8-9-13-12-6-15(9)4-2-11-8;;/h2,4,6-7H,1,3,5,10H2;2*1H.
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride?
1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 277.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 90187279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).