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

C19H26N4O2 — CID 95352466

IUPAC3-[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
SMILESCC(C)c1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2
InChIInChI=1S/C19H26N4O2/c1-12(2)19-21-20-17-11-22(8-9-23(17)19)18(24)7-5-14-4-6-16(25-14)15-10-13(15)3/h4,6,12-13,15H,5,7-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyYVZAMKLEJAMXLD-UKRRQHHQSA-N
MW342.44 g/mol
LogP3.09
Rot. Bonds5

About 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

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 (PubChem CID 95352466) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID95352466
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[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
SMILESCC(C)c1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2
InChIInChI=1S/C19H26N4O2/c1-12(2)19-21-20-17-11-22(8-9-23(17)19)18(24)7-5-14-4-6-16(25-14)15-10-13(15)3/h4,6,12-13,15H,5,7-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyYVZAMKLEJAMXLD-UKRRQHHQSA-N
XLogP3.09
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
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-[(2S)-oxolan-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 95978215
1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 118489351
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95350600

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2.
What is the InChIKey of 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?
The InChIKey is YVZAMKLEJAMXLD-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)19-21-20-17-11-22(8-9-23(17)19)18(24)7-5-14-4-6-16(25-14)15-10-13(15)3/h4,6,12-13,15H,5,7-11H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 342.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).