(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine

C9H14N4 — CID 71644033

IUPAC(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2cnccn2)C1
InChIInChI=1S/C9H14N4/c10-8-1-4-13(6-8)7-9-5-11-2-3-12-9/h2-3,5,8H,1,4,6-7,10H2/t8-/m0/s1
InChIKeyXWLBIRJIQNGRKN-QMMMGPOBSA-N
MW178.24 g/mol
LogP0.01
Rot. Bonds2

About (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine

(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 71644033) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID71644033
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2cnccn2)C1
InChIInChI=1S/C9H14N4/c10-8-1-4-13(6-8)7-9-5-11-2-3-12-9/h2-3,5,8H,1,4,6-7,10H2/t8-/m0/s1
InChIKeyXWLBIRJIQNGRKN-QMMMGPOBSA-N
XLogP0.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
1-(pyrazin-2-ylmethyl)piperidin-4-amine
CID 43556640
1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 62917165
1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine
CID 63988082
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
N-methyl-N-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 171995944
2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
CID 82691447
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine (CID 71644033) is (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine is N[C@H]1CCN(Cc2cnccn2)C1.
What is the InChIKey of (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is XWLBIRJIQNGRKN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N4/c10-8-1-4-13(6-8)7-9-5-11-2-3-12-9/h2-3,5,8H,1,4,6-7,10H2/t8-/m0/s1.
What are the key properties of (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71644033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).