3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one

C11H14N8O — CID 80818046

IUPAC3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESNc1nc(NC2CCCNC2=O)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N8O/c12-9-16-10(15-7-2-1-3-14-8(7)20)18-11(17-9)19-5-4-13-6-19/h4-7H,1-3H2,(H,14,20)(H3,12,15,16,17,18)
InChIKeySHIADOKAEDGQJI-UHFFFAOYSA-N
MW274.29 g/mol
LogP-0.67
Rot. Bonds3

About 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one (PubChem CID 80818046) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
PubChem CID80818046
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESNc1nc(NC2CCCNC2=O)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N8O/c12-9-16-10(15-7-2-1-3-14-8(7)20)18-11(17-9)19-5-4-13-6-19/h4-7H,1-3H2,(H,14,20)(H3,12,15,16,17,18)
InChIKeySHIADOKAEDGQJI-UHFFFAOYSA-N
XLogP-0.67
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 80797911
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 80831736
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80801599
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910
2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80840055
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293
6-imidazol-1-yl-2-N-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one (CID 80818046) is 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one is Nc1nc(NC2CCCNC2=O)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The InChIKey is SHIADOKAEDGQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O/c12-9-16-10(15-7-2-1-3-14-8(7)20)18-11(17-9)19-5-4-13-6-19/h4-7H,1-3H2,(H,14,20)(H3,12,15,16,17,18).
What are the key properties of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one has a molecular weight of 274.29 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 80818046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).