2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C16H23N5 — CID 110102324

IUPAC2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(C2CCCN(C)C2)cn1
InChIInChI=1S/C16H23N5/c1-11-16(12(2)21(4)19-11)15-9-17-14(8-18-15)13-6-5-7-20(3)10-13/h8-9,13H,5-7,10H2,1-4H3
InChIKeyJBBYOXWLKRNODH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.30
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102324) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102324
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(C2CCCN(C)C2)cn1
InChIInChI=1S/C16H23N5/c1-11-16(12(2)21(4)19-11)15-9-17-14(8-18-15)13-6-5-7-20(3)10-13/h8-9,13H,5-7,10H2,1-4H3
InChIKeyJBBYOXWLKRNODH-UHFFFAOYSA-N
XLogP2.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
Cholesterol 24-hydroxylase-IN-1
CID 118450616
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
(3R)-3-[4-(6-fluoro-3-pyridinyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70675000
3-(4-Phenyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 15522515
3-Propyl-1,2,3,4-tetrahydro-3,8a,9-triaza-fluorene
CID 44316315
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
1-[4-[4-(3-Fluoro-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
CID 127048234
1-Methyl-4-[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]piperazine
CID 127051102
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102324) is 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1cnc(C2CCCN(C)C2)cn1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is JBBYOXWLKRNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-16(12(2)21(4)19-11)15-9-17-14(8-18-15)13-6-5-7-20(3)10-13/h8-9,13H,5-7,10H2,1-4H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).