2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine

C14H19N5 — CID 95810838

IUPAC2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine
SMILESCc1nccn1-c1nccnc1[C@H]1CCCN(C)C1
InChIInChI=1S/C14H19N5/c1-11-15-7-9-19(11)14-13(16-5-6-17-14)12-4-3-8-18(2)10-12/h5-7,9,12H,3-4,8,10H2,1-2H3/t12-/m0/s1
InChIKeyLSABXAMZAKMHLN-LBPRGKRZSA-N
MW257.34 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine

2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine (PubChem CID 95810838) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine
PubChem CID95810838
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine
SMILESCc1nccn1-c1nccnc1[C@H]1CCCN(C)C1
InChIInChI=1S/C14H19N5/c1-11-15-7-9-19(11)14-13(16-5-6-17-14)12-4-3-8-18(2)10-12/h5-7,9,12H,3-4,8,10H2,1-2H3/t12-/m0/s1
InChIKeyLSABXAMZAKMHLN-LBPRGKRZSA-N
XLogP1.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine (CID 95810838) is 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine is Cc1nccn1-c1nccnc1[C@H]1CCCN(C)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine?
The InChIKey is LSABXAMZAKMHLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-15-7-9-19(11)14-13(16-5-6-17-14)12-4-3-8-18(2)10-12/h5-7,9,12H,3-4,8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine?
2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine has a molecular weight of 257.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-3-[(3S)-1-methylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95810838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).