1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one

C17H29N5O — CID 95750292

IUPAC1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCC(C)c1nnc2n1C[C@@H](CNCCCN1CCCC1=O)CC2
InChIInChI=1S/C17H29N5O/c1-13(2)17-20-19-15-7-6-14(12-22(15)17)11-18-8-4-10-21-9-3-5-16(21)23/h13-14,18H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyQIPAEDAZGNPEIB-CQSZACIVSA-N
MW319.45 g/mol
LogP1.57
Rot. Bonds7

About 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 95750292) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID95750292
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCC(C)c1nnc2n1C[C@@H](CNCCCN1CCCC1=O)CC2
InChIInChI=1S/C17H29N5O/c1-13(2)17-20-19-15-7-6-14(12-22(15)17)11-18-8-4-10-21-9-3-5-16(21)23/h13-14,18H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyQIPAEDAZGNPEIB-CQSZACIVSA-N
XLogP1.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one (CID 95750292) is 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one is CC(C)c1nnc2n1C[C@@H](CNCCCN1CCCC1=O)CC2.
What is the InChIKey of 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is QIPAEDAZGNPEIB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)17-20-19-15-7-6-14(12-22(15)17)11-18-8-4-10-21-9-3-5-16(21)23/h13-14,18H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 319.45 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95750292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).