1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one

C19H30N6O3 — CID 110203956

IUPAC1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)CN1CCCC1=O)CC2
InChIInChI=1S/C19H30N6O3/c1-13(2)25-11-14(26)10-15(25)19-21-20-16-5-7-22(8-9-24(16)19)18(28)12-23-6-3-4-17(23)27/h13-15,26H,3-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyIZCUQVNKHWSETB-CABCVRRESA-N
MW390.49 g/mol
LogP-0.20
Rot. Bonds4

About 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 110203956) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID110203956
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)CN1CCCC1=O)CC2
InChIInChI=1S/C19H30N6O3/c1-13(2)25-11-14(26)10-15(25)19-21-20-16-5-7-22(8-9-24(16)19)18(28)12-23-6-3-4-17(23)27/h13-15,26H,3-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyIZCUQVNKHWSETB-CABCVRRESA-N
XLogP-0.20
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one (CID 110203956) is 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one is CC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)CN1CCCC1=O)CC2.
What is the InChIKey of 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is IZCUQVNKHWSETB-CABCVRRESA-N. The full InChI is InChI=1S/C19H30N6O3/c1-13(2)25-11-14(26)10-15(25)19-21-20-16-5-7-22(8-9-24(16)19)18(28)12-23-6-3-4-17(23)27/h13-15,26H,3-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 390.49 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 110203956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).