1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one

C7H11N5O2 — CID 168702805

IUPAC1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
SMILESCn1nc(N2CC(O)CC2=O)nc1N
InChIInChI=1S/C7H11N5O2/c1-11-6(8)9-7(10-11)12-3-4(13)2-5(12)14/h4,13H,2-3H2,1H3,(H2,8,9,10)
InChIKeyOILLYPUKZVMULX-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.51
Rot. Bonds1

About 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one

1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702805) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168702805
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
SMILESCn1nc(N2CC(O)CC2=O)nc1N
InChIInChI=1S/C7H11N5O2/c1-11-6(8)9-7(10-11)12-3-4(13)2-5(12)14/h4,13H,2-3H2,1H3,(H2,8,9,10)
InChIKeyOILLYPUKZVMULX-UHFFFAOYSA-N
XLogP-1.51
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one (CID 168702805) is 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one is Cn1nc(N2CC(O)CC2=O)nc1N.
What is the InChIKey of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is OILLYPUKZVMULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-11-6(8)9-7(10-11)12-3-4(13)2-5(12)14/h4,13H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 197.20 g/mol, XLogP of -1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).