[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone

C18H24N6O — CID 134790002

IUPAC[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone
SMILESNC(c1ccccc1)c1nnc2n1CCN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C18H24N6O/c19-16(14-7-3-1-4-8-14)17-21-20-15-13-23(11-12-24(15)17)18(25)22-9-5-2-6-10-22/h1,3-4,7-8,16H,2,5-6,9-13,19H2
InChIKeyJMQWULJSMXEOCT-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds2

About [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone

[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone (PubChem CID 134790002) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone
PubChem CID134790002
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone
SMILESNC(c1ccccc1)c1nnc2n1CCN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C18H24N6O/c19-16(14-7-3-1-4-8-14)17-21-20-15-13-23(11-12-24(15)17)18(25)22-9-5-2-6-10-22/h1,3-4,7-8,16H,2,5-6,9-13,19H2
InChIKeyJMQWULJSMXEOCT-UHFFFAOYSA-N
XLogP1.75
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone (CID 134790002) is [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone is NC(c1ccccc1)c1nnc2n1CCN(C(=O)N1CCCCC1)C2.
What is the InChIKey of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone?
The InChIKey is JMQWULJSMXEOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c19-16(14-7-3-1-4-8-14)17-21-20-15-13-23(11-12-24(15)17)18(25)22-9-5-2-6-10-22/h1,3-4,7-8,16H,2,5-6,9-13,19H2.
What are the key properties of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone?
[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134790002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).