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

C17H22N6O2 — CID 134788444

IUPAC[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone
SMILESNC(c1ccccc1)c1nnc2n1CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C17H22N6O2/c18-15(13-4-2-1-3-5-13)16-20-19-14-12-22(6-7-23(14)16)17(24)21-8-10-25-11-9-21/h1-5,15H,6-12,18H2
InChIKeyDKXCMQRGZIKBDZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.59
Rot. Bonds2

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

[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone (PubChem CID 134788444) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone
PubChem CID134788444
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone
SMILESNC(c1ccccc1)c1nnc2n1CCN(C(=O)N1CCOCC1)C2
InChIInChI=1S/C17H22N6O2/c18-15(13-4-2-1-3-5-13)16-20-19-14-12-22(6-7-23(14)16)17(24)21-8-10-25-11-9-21/h1-5,15H,6-12,18H2
InChIKeyDKXCMQRGZIKBDZ-UHFFFAOYSA-N
XLogP0.59
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-morpholin-4-ylmethanone?
The IUPAC name of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone (CID 134788444) is [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-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]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone is NC(c1ccccc1)c1nnc2n1CCN(C(=O)N1CCOCC1)C2.
What is the InChIKey of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is DKXCMQRGZIKBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-15(13-4-2-1-3-5-13)16-20-19-14-12-22(6-7-23(14)16)17(24)21-8-10-25-11-9-21/h1-5,15H,6-12,18H2.
What are the key properties of [3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone?
[3-[amino(phenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 134788444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).