1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one

C18H24N4O2 — CID 95289388

IUPAC1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
SMILESCCc1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2
InChIInChI=1S/C18H24N4O2/c1-3-16-19-20-17-11-21(8-9-22(16)17)18(23)7-5-13-4-6-15(24-13)14-10-12(14)2/h4,6,12,14H,3,5,7-11H2,1-2H3/t12-,14-/m1/s1
InChIKeySRSLKDHVGGLIRD-TZMCWYRMSA-N
MW328.42 g/mol
LogP2.53
Rot. Bonds5

About 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one (PubChem CID 95289388) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
PubChem CID95289388
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
SMILESCCc1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2
InChIInChI=1S/C18H24N4O2/c1-3-16-19-20-17-11-21(8-9-22(16)17)18(23)7-5-13-4-6-15(24-13)14-10-12(14)2/h4,6,12,14H,3,5,7-11H2,1-2H3/t12-,14-/m1/s1
InChIKeySRSLKDHVGGLIRD-TZMCWYRMSA-N
XLogP2.53
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one with MolForge

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Related Compounds

3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95352466
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 124806662
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55636691
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55447919
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55445981

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one?
The IUPAC name of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one (CID 95289388) is 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one.
What is the SMILES notation for 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one?
The canonical SMILES for 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one is CCc1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2.
What is the InChIKey of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one?
The InChIKey is SRSLKDHVGGLIRD-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-16-19-20-17-11-21(8-9-22(16)17)18(23)7-5-13-4-6-15(24-13)14-10-12(14)2/h4,6,12,14H,3,5,7-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one?
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one is sourced from PubChem (CID 95289388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).