2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine

C15H21N5 — CID 110131808

IUPAC2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine
SMILESCN1CCC(Cc2nccnc2-c2cncn2C)CC1
InChIInChI=1S/C15H21N5/c1-19-7-3-12(4-8-19)9-13-15(18-6-5-17-13)14-10-16-11-20(14)2/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyKVYINAHBKSHACD-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.76
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine

2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine (PubChem CID 110131808) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine
PubChem CID110131808
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine
SMILESCN1CCC(Cc2nccnc2-c2cncn2C)CC1
InChIInChI=1S/C15H21N5/c1-19-7-3-12(4-8-19)9-13-15(18-6-5-17-13)14-10-16-11-20(14)2/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyKVYINAHBKSHACD-UHFFFAOYSA-N
XLogP1.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine (CID 110131808) is 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine is CN1CCC(Cc2nccnc2-c2cncn2C)CC1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is KVYINAHBKSHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-7-3-12(4-8-19)9-13-15(18-6-5-17-13)14-10-16-11-20(14)2/h5-6,10-12H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine?
2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 110131808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).