3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol

C12H20N4O — CID 55104264

IUPAC3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESNCc1nccnc1N1CCCC1CCCO
InChIInChI=1S/C12H20N4O/c13-9-11-12(15-6-5-14-11)16-7-1-3-10(16)4-2-8-17/h5-6,10,17H,1-4,7-9,13H2
InChIKeyAXKSPLMSXLSJOO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.68
Rot. Bonds5

About 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55104264) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55104264
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESNCc1nccnc1N1CCCC1CCCO
InChIInChI=1S/C12H20N4O/c13-9-11-12(15-6-5-14-11)16-7-1-3-10(16)4-2-8-17/h5-6,10,17H,1-4,7-9,13H2
InChIKeyAXKSPLMSXLSJOO-UHFFFAOYSA-N
XLogP0.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067
1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide
CID 62672889
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62833346
2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]ethanol
CID 83064794
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
3-[1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 114043276
3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 81050229
3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80827434
1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
CID 106543368

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol (CID 55104264) is 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol is NCc1nccnc1N1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is AXKSPLMSXLSJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-9-11-12(15-6-5-14-11)16-7-1-3-10(16)4-2-8-17/h5-6,10,17H,1-4,7-9,13H2.
What are the key properties of 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55104264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).