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

C6H9N5O2 — CID 168704171

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
SMILESNc1nc(N2CC(O)CC2=O)n[nH]1
InChIInChI=1S/C6H9N5O2/c7-5-8-6(10-9-5)11-2-3(12)1-4(11)13/h3,12H,1-2H2,(H3,7,8,9,10)
InChIKeyVLTBVPSKUPYRPN-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.52
Rot. Bonds1

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

1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168704171) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168704171
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
SMILESNc1nc(N2CC(O)CC2=O)n[nH]1
InChIInChI=1S/C6H9N5O2/c7-5-8-6(10-9-5)11-2-3(12)1-4(11)13/h3,12H,1-2H2,(H3,7,8,9,10)
InChIKeyVLTBVPSKUPYRPN-UHFFFAOYSA-N
XLogP-1.52
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168704175
3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 79187063
1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168701841
1-(6-bromo-1,2,4-triazin-3-yl)-4-hydroxypyrrolidin-2-one
CID 168703642
1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704107
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
4-amino-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 168701229
4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
CID 168703641

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one (CID 168704171) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one is Nc1nc(N2CC(O)CC2=O)n[nH]1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is VLTBVPSKUPYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-5-8-6(10-9-5)11-2-3(12)1-4(11)13/h3,12H,1-2H2,(H3,7,8,9,10).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one?
1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 183.17 g/mol, XLogP of -1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).