2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine

C13H17N5 — CID 124641985

IUPAC2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
SMILESCn1cncc1-c1cnc(C[C@H]2CCNC2)cn1
InChIInChI=1S/C13H17N5/c1-18-9-15-8-13(18)12-7-16-11(6-17-12)4-10-2-3-14-5-10/h6-10,14H,2-5H2,1H3/t10-/m1/s1
InChIKeyBYLVPJCGQVZNRM-SNVBAGLBSA-N
MW243.31 g/mol
LogP1.03
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine

2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine (PubChem CID 124641985) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
PubChem CID124641985
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
SMILESCn1cncc1-c1cnc(C[C@H]2CCNC2)cn1
InChIInChI=1S/C13H17N5/c1-18-9-15-8-13(18)12-7-16-11(6-17-12)4-10-2-3-14-5-10/h6-10,14H,2-5H2,1H3/t10-/m1/s1
InChIKeyBYLVPJCGQVZNRM-SNVBAGLBSA-N
XLogP1.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 125017846
2-(2-propylpyrazol-3-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine
CID 124942689
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine (CID 124641985) is 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine is Cn1cncc1-c1cnc(C[C@H]2CCNC2)cn1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine?
The InChIKey is BYLVPJCGQVZNRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5/c1-18-9-15-8-13(18)12-7-16-11(6-17-12)4-10-2-3-14-5-10/h6-10,14H,2-5H2,1H3/t10-/m1/s1.
What are the key properties of 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine?
2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine has a molecular weight of 243.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 124641985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).