(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride

C9H15ClN4 — CID 71639291

IUPAC(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
SMILESCc1nccnc1N1CC[C@H](N)C1.Cl
InChIInChI=1S/C9H14N4.ClH/c1-7-9(12-4-3-11-7)13-5-2-8(10)6-13;/h3-4,8H,2,5-6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyIMOONDBSCYAPQE-QRPNPIFTSA-N
MW214.70 g/mol
LogP0.74
Rot. Bonds1

About (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride

(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride (PubChem CID 71639291) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
PubChem CID71639291
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
SMILESCc1nccnc1N1CC[C@H](N)C1.Cl
InChIInChI=1S/C9H14N4.ClH/c1-7-9(12-4-3-11-7)13-5-2-8(10)6-13;/h3-4,8H,2,5-6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyIMOONDBSCYAPQE-QRPNPIFTSA-N
XLogP0.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride (CID 71639291) is (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride is Cc1nccnc1N1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is IMOONDBSCYAPQE-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N4.ClH/c1-7-9(12-4-3-11-7)13-5-2-8(10)6-13;/h3-4,8H,2,5-6,10H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride?
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71639291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).