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

C9H13ClN6 — CID 90187475

IUPAC1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6.ClH/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;1H
InChIKeyXVWALCSQFYGBKS-UHFFFAOYSA-N
MW240.70 g/mol
LogP0.08
Rot. Bonds1

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

1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride (PubChem CID 90187475) has the molecular formula C9H13ClN6 and a molecular weight of 240.70 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride
PubChem CID90187475
Molecular FormulaC9H13ClN6
Molecular Weight240.70 g/mol
Exact Mass240.09
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6.ClH/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;1H
InChIKeyXVWALCSQFYGBKS-UHFFFAOYSA-N
XLogP0.08
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 50.08
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;hydrochloride?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride (CID 90187475) is 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(c2nccn3cnnc23)C1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is XVWALCSQFYGBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6.ClH/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;1H.
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride?
1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 240.70 g/mol, XLogP of 0.08, 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;hydrochloride is sourced from PubChem (CID 90187475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).