1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one

C17H23N5O2 — CID 164688151

IUPAC1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)CCn1ccccc1=O)C2
InChIInChI=1S/C17H23N5O2/c1-12(2)17-19-18-14-11-21(10-13(3)22(14)17)16(24)7-9-20-8-5-4-6-15(20)23/h4-6,8,12-13H,7,9-11H2,1-3H3/t13-/m0/s1
InChIKeySUHQXLFFCAFVPJ-ZDUSSCGKSA-N
MW329.40 g/mol
LogP1.56
Rot. Bonds4

About 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 164688151) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one
PubChem CID164688151
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)CCn1ccccc1=O)C2
InChIInChI=1S/C17H23N5O2/c1-12(2)17-19-18-14-11-21(10-13(3)22(14)17)16(24)7-9-20-8-5-4-6-15(20)23/h4-6,8,12-13H,7,9-11H2,1-3H3/t13-/m0/s1
InChIKeySUHQXLFFCAFVPJ-ZDUSSCGKSA-N
XLogP1.56
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one (CID 164688151) is 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one is CC(C)c1nnc2n1[C@@H](C)CN(C(=O)CCn1ccccc1=O)C2.
What is the InChIKey of 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is SUHQXLFFCAFVPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)17-19-18-14-11-21(10-13(3)22(14)17)16(24)7-9-20-8-5-4-6-15(20)23/h4-6,8,12-13H,7,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 164688151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).