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

C17H24N6O3 — CID 164691387

IUPAC1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)CCn1c(C)cc(C)nc1=O)C2
InChIInChI=1S/C17H24N6O3/c1-11-7-12(2)22(17(25)18-11)6-5-16(24)21-8-13(3)23-14(9-21)19-20-15(23)10-26-4/h7,13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyMVSVRSMWBSHVED-ZDUSSCGKSA-N
MW360.42 g/mol
LogP0.59
Rot. Bonds5

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

1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 164691387) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
PubChem CID164691387
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCOCc1nnc2n1[C@@H](C)CN(C(=O)CCn1c(C)cc(C)nc1=O)C2
InChIInChI=1S/C17H24N6O3/c1-11-7-12(2)22(17(25)18-11)6-5-16(24)21-8-13(3)23-14(9-21)19-20-15(23)10-26-4/h7,13H,5-6,8-10H2,1-4H3/t13-/m0/s1
InChIKeyMVSVRSMWBSHVED-ZDUSSCGKSA-N
XLogP0.59
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (CID 164691387) is 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is COCc1nnc2n1[C@@H](C)CN(C(=O)CCn1c(C)cc(C)nc1=O)C2.
What is the InChIKey of 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is MVSVRSMWBSHVED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-7-12(2)22(17(25)18-11)6-5-16(24)21-8-13(3)23-14(9-21)19-20-15(23)10-26-4/h7,13H,5-6,8-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 360.42 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 164691387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).