2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine

C10H15N3 — CID 157065422

IUPAC2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
SMILESCc1cnc(C[C@@H]2CCNC2)cn1
InChIInChI=1S/C10H15N3/c1-8-5-13-10(7-12-8)4-9-2-3-11-6-9/h5,7,9,11H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyQLIPVQVUWPDJJE-VIFPVBQESA-N
MW177.25 g/mol
LogP0.94
Rot. Bonds2

About 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine

2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine (PubChem CID 157065422) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
PubChem CID157065422
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
SMILESCc1cnc(C[C@@H]2CCNC2)cn1
InChIInChI=1S/C10H15N3/c1-8-5-13-10(7-12-8)4-9-2-3-11-6-9/h5,7,9,11H,2-4,6H2,1H3/t9-/m0/s1
InChIKeyQLIPVQVUWPDJJE-VIFPVBQESA-N
XLogP0.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 125017846
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124641985
N-[(5-methylpyrazin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707499
5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 158085877
4-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 83858474
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2-(2-propylpyrazol-3-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124942689
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 84681999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine (CID 157065422) is 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine is Cc1cnc(C[C@@H]2CCNC2)cn1.
What is the InChIKey of 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine?
The InChIKey is QLIPVQVUWPDJJE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3/c1-8-5-13-10(7-12-8)4-9-2-3-11-6-9/h5,7,9,11H,2-4,6H2,1H3/t9-/m0/s1.
What are the key properties of 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine?
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine has a molecular weight of 177.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 157065422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).