4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one

C12H21N7O2 — CID 80905954

IUPAC4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC(C)Oc1nc(NN)nc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H21N7O2/c1-7(2)21-11-16-9(18-13)15-10(17-11)19-6-5-14-8(20)12(19,3)4/h7H,5-6,13H2,1-4H3,(H,14,20)(H,15,16,17,18)
InChIKeyXRJODEWMWWXMEP-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.34
Rot. Bonds4

About 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one

4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 80905954) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID80905954
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC(C)Oc1nc(NN)nc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H21N7O2/c1-7(2)21-11-16-9(18-13)15-10(17-11)19-6-5-14-8(20)12(19,3)4/h7H,5-6,13H2,1-4H3,(H,14,20)(H,15,16,17,18)
InChIKeyXRJODEWMWWXMEP-UHFFFAOYSA-N
XLogP-0.34
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63608153
(4-piperazin-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80917805
[4-(4,4-dimethylpiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80919495
4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one
CID 80834181
4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one
CID 80915244
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 80833566
[4-(2,6-dimethylmorpholin-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928474
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80904737
4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
CID 107542013
[4-(4-methylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80901681
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63607830

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one (CID 80905954) is 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one is CC(C)Oc1nc(NN)nc(N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is XRJODEWMWWXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-7(2)21-11-16-9(18-13)15-10(17-11)19-6-5-14-8(20)12(19,3)4/h7H,5-6,13H2,1-4H3,(H,14,20)(H,15,16,17,18).
What are the key properties of 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one?
4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 295.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 80905954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).