(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride

C9H13ClN6 — CID 86720545

IUPAC(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2cncc3ncnn23)C1
InChIInChI=1S/C9H12N6.ClH/c10-7-1-2-14(5-7)9-4-11-3-8-12-6-13-15(8)9;/h3-4,6-7H,1-2,5,10H2;1H/t7-;/m0./s1
InChIKeyIJTVCMXKXDLUIJ-FJXQXJEOSA-N
MW240.70 g/mol
LogP0.08
Rot. Bonds1

About (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride

(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride (PubChem CID 86720545) has the molecular formula C9H13ClN6 and a molecular weight of 240.70 g/mol. Its IUPAC name is (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride
PubChem CID86720545
Molecular FormulaC9H13ClN6
Molecular Weight240.70 g/mol
Exact Mass240.09
IUPAC Name(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2cncc3ncnn23)C1
InChIInChI=1S/C9H12N6.ClH/c10-7-1-2-14(5-7)9-4-11-3-8-12-6-13-15(8)9;/h3-4,6-7H,1-2,5,10H2;1H/t7-;/m0./s1
InChIKeyIJTVCMXKXDLUIJ-FJXQXJEOSA-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

Analyze (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride 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 (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride (CID 86720545) is (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(c2cncc3ncnn23)C1.
What is the InChIKey of (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is IJTVCMXKXDLUIJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H12N6.ClH/c10-7-1-2-14(5-7)9-4-11-3-8-12-6-13-15(8)9;/h3-4,6-7H,1-2,5,10H2;1H/t7-;/m0./s1.
What are the key properties of (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride?
(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-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 (3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 86720545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).