(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride

C10H17ClN4 — CID 71637668

IUPAC(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
SMILESCC(N[C@H]1CCNC1)c1cnccn1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-8(10-7-12-4-5-13-10)14-9-2-3-11-6-9;/h4-5,7-9,11,14H,2-3,6H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyFCGVTATYMRUWNQ-MTFPJWTKSA-N
MW228.73 g/mol
LogP0.91
Rot. Bonds3

About (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride

(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 71637668) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID71637668
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
SMILESCC(N[C@H]1CCNC1)c1cnccn1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-8(10-7-12-4-5-13-10)14-9-2-3-11-6-9;/h4-5,7-9,11,14H,2-3,6H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyFCGVTATYMRUWNQ-MTFPJWTKSA-N
XLogP0.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride (CID 71637668) is (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride is CC(N[C@H]1CCNC1)c1cnccn1.Cl.
What is the InChIKey of (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is FCGVTATYMRUWNQ-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c1-8(10-7-12-4-5-13-10)14-9-2-3-11-6-9;/h4-5,7-9,11,14H,2-3,6H2,1H3;1H/t8?,9-;/m0./s1.
What are the key properties of (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
(3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-pyrazin-2-ylethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71637668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).