[4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine

C19H23N7O — CID 164628373

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2ccnn2)cc1
InChIInChI=1S/C19H23N7O/c20-11-14-1-3-16(4-2-14)18-19(26-10-9-23-25-26)24-17(12-22-18)27-13-15-5-7-21-8-6-15/h1-4,9-10,12,15,21H,5-8,11,13,20H2
InChIKeyJKIWUSAVSVAIHG-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.56
Rot. Bonds6

About [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine

[4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine (PubChem CID 164628373) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine
PubChem CID164628373
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2ccnn2)cc1
InChIInChI=1S/C19H23N7O/c20-11-14-1-3-16(4-2-14)18-19(26-10-9-23-25-26)24-17(12-22-18)27-13-15-5-7-21-8-6-15/h1-4,9-10,12,15,21H,5-8,11,13,20H2
InChIKeyJKIWUSAVSVAIHG-UHFFFAOYSA-N
XLogP1.56
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine (CID 164628373) is [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-n2ccnn2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is JKIWUSAVSVAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-11-14-1-3-16(4-2-14)18-19(26-10-9-23-25-26)24-17(12-22-18)27-13-15-5-7-21-8-6-15/h1-4,9-10,12,15,21H,5-8,11,13,20H2.
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 365.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(piperidin-4-ylmethoxy)-3-(triazol-1-yl)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164628373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).