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

C20H28N4O2 — CID 164698300

IUPAC4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESCOc1ccc(CCCC(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-14(2)20-22-21-18-13-23(12-15(3)24(18)20)19(25)7-5-6-16-8-10-17(26-4)11-9-16/h8-11,14-15H,5-7,12-13H2,1-4H3/t15-/m0/s1
InChIKeyDOFBYBYVNBVTPQ-HNNXBMFYSA-N
MW356.47 g/mol
LogP3.34
Rot. Bonds6

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

4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (PubChem CID 164698300) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
PubChem CID164698300
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESCOc1ccc(CCCC(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-14(2)20-22-21-18-13-23(12-15(3)24(18)20)19(25)7-5-6-16-8-10-17(26-4)11-9-16/h8-11,14-15H,5-7,12-13H2,1-4H3/t15-/m0/s1
InChIKeyDOFBYBYVNBVTPQ-HNNXBMFYSA-N
XLogP3.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2,4-dimethoxyphenyl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164694222
(2S,3R)-2-amino-3-hydroxy-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;hydrochloride
CID 171316785
[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164696010
(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
(3-methyl-1,2-oxazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164688648
3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 126787824
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
3-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110602191
4-(4-methoxyphenyl)-1-(2-sulfanylmorpholin-4-yl)butan-1-one
CID 176715120
1-methyl-5-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164694296
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164688378

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (CID 164698300) is 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is COc1ccc(CCCC(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The InChIKey is DOFBYBYVNBVTPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)20-22-21-18-13-23(12-15(3)24(18)20)19(25)7-5-6-16-8-10-17(26-4)11-9-16/h8-11,14-15H,5-7,12-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one has a molecular weight of 356.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 164698300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).