3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one

C19H29N7O — CID 175648752

IUPAC3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCc1nnc2c(N3CCCN(C4CCN(C(C)C)C4=O)CC3)nccn12
InChIInChI=1S/C19H29N7O/c1-4-16-21-22-18-17(20-7-11-26(16)18)24-9-5-8-23(12-13-24)15-6-10-25(14(2)3)19(15)27/h7,11,14-15H,4-6,8-10,12-13H2,1-3H3
InChIKeyFGGVPDQNKMGYND-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.21
Rot. Bonds4

About 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one

3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 175648752) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID175648752
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCCc1nnc2c(N3CCCN(C4CCN(C(C)C)C4=O)CC3)nccn12
InChIInChI=1S/C19H29N7O/c1-4-16-21-22-18-17(20-7-11-26(16)18)24-9-5-8-23(12-13-24)15-6-10-25(14(2)3)19(15)27/h7,11,14-15H,4-6,8-10,12-13H2,1-3H3
InChIKeyFGGVPDQNKMGYND-UHFFFAOYSA-N
XLogP1.21
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[4-[(2-bromophenyl)methyl]-1,4-diazepan-1-yl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 171327374
2-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-5-methoxy-1,3-benzothiazole
CID 171323929
3-[4-(2-tert-butyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155974370
N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 171326387
3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155980257
(2R)-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]propan-2-ol
CID 133499653
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
CID 171327390
N-methyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 58328733
3-[4-[5-fluoro-6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 163357957
3-(3-amino-1,2,4-triazol-1-yl)-1-propan-2-ylpyrrolidin-2-one
CID 165482460
N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 171327471
3-cyclopropyl-8-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133478743

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 175648752) is 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one is CCc1nnc2c(N3CCCN(C4CCN(C(C)C)C4=O)CC3)nccn12.
What is the InChIKey of 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is FGGVPDQNKMGYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-4-16-21-22-18-17(20-7-11-26(16)18)24-9-5-8-23(12-13-24)15-6-10-25(14(2)3)19(15)27/h7,11,14-15H,4-6,8-10,12-13H2,1-3H3.
What are the key properties of 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one?
3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 371.49 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 175648752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).