(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride

C9H14Cl2N4 — CID 71640607

IUPAC(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Clc1nccnc1CN[C@@H]1CCNC1
InChIInChI=1S/C9H13ClN4.ClH/c10-9-8(12-3-4-13-9)6-14-7-1-2-11-5-7;/h3-4,7,11,14H,1-2,5-6H2;1H/t7-;/m1./s1
InChIKeyJOWFAFYDUHLABN-OGFXRTJISA-N
MW249.14 g/mol
LogP1.00
Rot. Bonds3

About (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride

(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71640607) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71640607
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Clc1nccnc1CN[C@@H]1CCNC1
InChIInChI=1S/C9H13ClN4.ClH/c10-9-8(12-3-4-13-9)6-14-7-1-2-11-5-7;/h3-4,7,11,14H,1-2,5-6H2;1H/t7-;/m1./s1
InChIKeyJOWFAFYDUHLABN-OGFXRTJISA-N
XLogP1.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71643397
(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636752
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
(3R)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71304599
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 71640491
(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 71640351
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
CID 171699876
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
CID 118390239
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164670

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 71640607) is (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.Clc1nccnc1CN[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is JOWFAFYDUHLABN-OGFXRTJISA-N. The full InChI is InChI=1S/C9H13ClN4.ClH/c10-9-8(12-3-4-13-9)6-14-7-1-2-11-5-7;/h3-4,7,11,14H,1-2,5-6H2;1H/t7-;/m1./s1.
What are the key properties of (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71640607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).