1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one

C21H39N5O — CID 144749812

IUPAC1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCCC1=O.CC(C)N1CCNCC1.CC(C)c1cccnn1
InChIInChI=1S/C7H16N2.C7H10N2.C7H13NO/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-8-9-7;1-6(2)8-5-3-4-7(8)9/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3
InChIKeyFSWLOMZSWKODAG-UHFFFAOYSA-N
MW377.58 g/mol
LogP2.92
Rot. Bonds3

About 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one

1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one (PubChem CID 144749812) has the molecular formula C21H39N5O and a molecular weight of 377.58 g/mol. Its IUPAC name is 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one
PubChem CID144749812
Molecular FormulaC21H39N5O
Molecular Weight377.58 g/mol
Exact Mass377.32
IUPAC Name1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCCC1=O.CC(C)N1CCNCC1.CC(C)c1cccnn1
InChIInChI=1S/C7H16N2.C7H10N2.C7H13NO/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-8-9-7;1-6(2)8-5-3-4-7(8)9/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3
InChIKeyFSWLOMZSWKODAG-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

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CID 159188191
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CID 160536510
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1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one (CID 144749812) is 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCCC1=O.CC(C)N1CCNCC1.CC(C)c1cccnn1.
What is the InChIKey of 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is FSWLOMZSWKODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C7H10N2.C7H13NO/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-3-5-8-9-7;1-6(2)8-5-3-4-7(8)9/h7-8H,3-6H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one?
1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 377.58 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperazine;3-propan-2-ylpyridazine;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 144749812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).