3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one

C14H19N7O2 — CID 165422773

IUPAC3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)CCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C14H19N7O2/c1-8-13-16-12(9-2-3-9)19-21(13)7-6-20(8)11(22)5-4-10-15-14(23)18-17-10/h8-9H,2-7H2,1H3,(H2,15,17,18,23)/t8-/m1/s1
InChIKeySKVHNRBETMSNGZ-MRVPVSSYSA-N
MW317.35 g/mol
LogP0.10
Rot. Bonds4

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

3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 165422773) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID165422773
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)CCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C14H19N7O2/c1-8-13-16-12(9-2-3-9)19-21(13)7-6-20(8)11(22)5-4-10-15-14(23)18-17-10/h8-9H,2-7H2,1H3,(H2,15,17,18,23)/t8-/m1/s1
InChIKeySKVHNRBETMSNGZ-MRVPVSSYSA-N
XLogP0.10
TPSA112.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-cyclopentyl-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 164693142
3-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157017436
[2-(2-aminoethoxy)-5-fluorophenyl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 165424540
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-(2-methoxyphenyl)propan-1-one
CID 164690786
7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one
CID 164691690
[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 164695473
(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690357
3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164698666
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]methanone
CID 164695747
formic acid;3-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 163340474
dimethyl (1R,5S)-3-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylate
CID 163309655
1-[2-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-oxoethyl]azepan-2-one
CID 164696234

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 165422773) is 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one is C[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)CCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SKVHNRBETMSNGZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-8-13-16-12(9-2-3-9)19-21(13)7-6-20(8)11(22)5-4-10-15-14(23)18-17-10/h8-9H,2-7H2,1H3,(H2,15,17,18,23)/t8-/m1/s1.
What are the key properties of 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 317.35 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 165422773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).