3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

C13H20ClN3 — CID 54584690

IUPAC3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCC(C)c1nccnc1C1CN2CCC1C2.Cl
InChIInChI=1S/C13H19N3.ClH/c1-9(2)12-13(15-5-4-14-12)11-8-16-6-3-10(11)7-16;/h4-5,9-11H,3,6-8H2,1-2H3;1H
InChIKeyNIBWVONSVMPWNI-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.44
Rot. Bonds2

About 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride

3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 54584690) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID54584690
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCC(C)c1nccnc1C1CN2CCC1C2.Cl
InChIInChI=1S/C13H19N3.ClH/c1-9(2)12-13(15-5-4-14-12)11-8-16-6-3-10(11)7-16;/h4-5,9-11H,3,6-8H2,1-2H3;1H
InChIKeyNIBWVONSVMPWNI-UHFFFAOYSA-N
XLogP2.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride (CID 54584690) is 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is CC(C)c1nccnc1C1CN2CCC1C2.Cl.
What is the InChIKey of 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is NIBWVONSVMPWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c1-9(2)12-13(15-5-4-14-12)11-8-16-6-3-10(11)7-16;/h4-5,9-11H,3,6-8H2,1-2H3;1H.
What are the key properties of 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride?
3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 54584690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).