(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

C18H24N4O3 — CID 164694222

IUPAC(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
SMILESCOc1ccc(C(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-11(2)17-20-19-16-10-21(9-12(3)22(16)17)18(23)14-7-6-13(24-4)8-15(14)25-5/h6-8,11-12H,9-10H2,1-5H3/t12-/m0/s1
InChIKeyNDIQIJUVIYKSBX-LBPRGKRZSA-N
MW344.42 g/mol
LogP2.64
Rot. Bonds4

About (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

(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 (PubChem CID 164694222) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164694222
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(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
SMILESCOc1ccc(C(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C18H24N4O3/c1-11(2)17-20-19-16-10-21(9-12(3)22(16)17)18(23)14-7-6-13(24-4)8-15(14)25-5/h6-8,11-12H,9-10H2,1-5H3/t12-/m0/s1
InChIKeyNDIQIJUVIYKSBX-LBPRGKRZSA-N
XLogP2.64
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
(3-fluoro-5-methylphenyl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164694013
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697611
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[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
(E)-3-(2,4-dimethoxyphenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
CID 75480223
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(C(=O)N2Cc3nnc(C(C)C)n3[C@@H](C)C2)c(OC)c1.
What is the InChIKey of (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?
The InChIKey is NDIQIJUVIYKSBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)17-20-19-16-10-21(9-12(3)22(16)17)18(23)14-7-6-13(24-4)8-15(14)25-5/h6-8,11-12H,9-10H2,1-5H3/t12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 344.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164694222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).