4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one

C9H9ClN8O — CID 106192252

IUPAC4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(Cl)nc(-n3cncn3)n2)CN1
InChIInChI=1S/C9H9ClN8O/c10-7-15-8(14-5-1-6(19)12-2-5)17-9(16-7)18-4-11-3-13-18/h3-5H,1-2H2,(H,12,19)(H,14,15,16,17)
InChIKeyFDDYUSTVFOXTOX-UHFFFAOYSA-N
MW280.68 g/mol
LogP-0.59
Rot. Bonds3

About 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one

4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one (PubChem CID 106192252) has the molecular formula C9H9ClN8O and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
PubChem CID106192252
Molecular FormulaC9H9ClN8O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(Cl)nc(-n3cncn3)n2)CN1
InChIInChI=1S/C9H9ClN8O/c10-7-15-8(14-5-1-6(19)12-2-5)17-9(16-7)18-4-11-3-13-18/h3-5H,1-2H2,(H,12,19)(H,14,15,16,17)
InChIKeyFDDYUSTVFOXTOX-UHFFFAOYSA-N
XLogP-0.59
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
4-chloro-N-(1,1-dioxothiolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869890
4-chloro-N-(3-methylcyclohexyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863333
4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864589
4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
CID 106198880
4-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
CID 106192262
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114630382
4-chloro-N-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83020439
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868495
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one (CID 106192252) is 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one is O=C1CC(Nc2nc(Cl)nc(-n3cncn3)n2)CN1.
What is the InChIKey of 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
The InChIKey is FDDYUSTVFOXTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN8O/c10-7-15-8(14-5-1-6(19)12-2-5)17-9(16-7)18-4-11-3-13-18/h3-5H,1-2H2,(H,12,19)(H,14,15,16,17).
What are the key properties of 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one?
4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one has a molecular weight of 280.68 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106192252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).