2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine

C18H20N6 — CID 29103169

IUPAC2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine
SMILESc1ccc(Cc2cn(C3CCN(c4cnccn4)CC3)nn2)cc1
InChIInChI=1S/C18H20N6/c1-2-4-15(5-3-1)12-16-14-24(22-21-16)17-6-10-23(11-7-17)18-13-19-8-9-20-18/h1-5,8-9,13-14,17H,6-7,10-12H2
InChIKeyVBIKMGDIFOZKBK-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine

2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine (PubChem CID 29103169) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine
PubChem CID29103169
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine
SMILESc1ccc(Cc2cn(C3CCN(c4cnccn4)CC3)nn2)cc1
InChIInChI=1S/C18H20N6/c1-2-4-15(5-3-1)12-16-14-24(22-21-16)17-6-10-23(11-7-17)18-13-19-8-9-20-18/h1-5,8-9,13-14,17H,6-7,10-12H2
InChIKeyVBIKMGDIFOZKBK-UHFFFAOYSA-N
XLogP2.50
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
CID 46995940
2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
CID 174616715
[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 31054807
3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118778072
4-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 30937407
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
CID 163350513
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
CID 56722746
(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
CID 133301489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine (CID 29103169) is 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine is c1ccc(Cc2cn(C3CCN(c4cnccn4)CC3)nn2)cc1.
What is the InChIKey of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine?
The InChIKey is VBIKMGDIFOZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-4-15(5-3-1)12-16-14-24(22-21-16)17-6-10-23(11-7-17)18-13-19-8-9-20-18/h1-5,8-9,13-14,17H,6-7,10-12H2.
What are the key properties of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine?
2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine has a molecular weight of 320.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 29103169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).