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

C9H12N6 — CID 86720534

IUPAC(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6/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/t7-/m0/s1
InChIKeyRLXREJLLZLVGGK-ZETCQYMHSA-N
MW204.24 g/mol
LogP-0.34
Rot. Bonds1

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

(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (PubChem CID 86720534) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
PubChem CID86720534
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C9H12N6/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/t7-/m0/s1
InChIKeyRLXREJLLZLVGGK-ZETCQYMHSA-N
XLogP-0.34
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (CID 86720534) is (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine is N[C@H]1CCN(c2nccn3cnnc23)C1.
What is the InChIKey of (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
The InChIKey is RLXREJLLZLVGGK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N6/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/t7-/m0/s1.
What are the key properties of (3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine has a molecular weight of 204.24 g/mol, XLogP of -0.34, 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[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine is sourced from PubChem (CID 86720534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).