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

C9H15ClN4 — CID 71636752

IUPAC(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.c1cnc(CN[C@H]2CCNC2)cn1
InChIInChI=1S/C9H14N4.ClH/c1-2-10-5-8(1)13-7-9-6-11-3-4-12-9;/h3-4,6,8,10,13H,1-2,5,7H2;1H/t8-;/m0./s1
InChIKeyNGGQYYSGABXGCR-QRPNPIFTSA-N
MW214.70 g/mol
LogP0.35
Rot. Bonds3

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

(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 71636752) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID71636752
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.c1cnc(CN[C@H]2CCNC2)cn1
InChIInChI=1S/C9H14N4.ClH/c1-2-10-5-8(1)13-7-9-6-11-3-4-12-9;/h3-4,6,8,10,13H,1-2,5,7H2;1H/t8-;/m0./s1
InChIKeyNGGQYYSGABXGCR-QRPNPIFTSA-N
XLogP0.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride (CID 71636752) is (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride is Cl.c1cnc(CN[C@H]2CCNC2)cn1.
What is the InChIKey of (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is NGGQYYSGABXGCR-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N4.ClH/c1-2-10-5-8(1)13-7-9-6-11-3-4-12-9;/h3-4,6,8,10,13H,1-2,5,7H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride?
(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71636752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).