[(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

C16H17N7O — CID 164695473

IUPAC[(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
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cccn2cnnc12
InChIInChI=1S/C16H17N7O/c1-10-14-18-13(11-4-5-11)20-23(14)8-7-22(10)16(24)12-3-2-6-21-9-17-19-15(12)21/h2-3,6,9-11H,4-5,7-8H2,1H3/t10-/m1/s1
InChIKeyWRZCXXUACAUUEK-SNVBAGLBSA-N
MW323.36 g/mol
LogP1.42
Rot. Bonds2

About [(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

[(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 (PubChem CID 164695473) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID164695473
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[(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
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cccn2cnnc12
InChIInChI=1S/C16H17N7O/c1-10-14-18-13(11-4-5-11)20-23(14)8-7-22(10)16(24)12-3-2-6-21-9-17-19-15(12)21/h2-3,6,9-11H,4-5,7-8H2,1H3/t10-/m1/s1
InChIKeyWRZCXXUACAUUEK-SNVBAGLBSA-N
XLogP1.42
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Related Compounds

(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
[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
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688290
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
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
(10S,13R)-9,10,16-trimethyl-13-(2-methylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-1,4,9,12,15,17-hexazabicyclo[12.3.0]heptadeca-14,16-diene-8,11-dione
CID 166623362
1-methyl-3-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164697667
(2S)-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 165425780
[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 172896904
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
(1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688966
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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cccn2cnnc12.
What is the InChIKey of [(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?
The InChIKey is WRZCXXUACAUUEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N7O/c1-10-14-18-13(11-4-5-11)20-23(14)8-7-22(10)16(24)12-3-2-6-21-9-17-19-15(12)21/h2-3,6,9-11H,4-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 323.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 164695473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).