4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane

C12H21N3O — CID 145225486

IUPAC4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
SMILESCC.CC1CCCn2nccc2N(C)C1=O
InChIInChI=1S/C10H15N3O.C2H6/c1-8-4-3-7-13-9(5-6-11-13)12(2)10(8)14;1-2/h5-6,8H,3-4,7H2,1-2H3;1-2H3
InChIKeyRJTSLZSQWUXSFN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds

About 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane

4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane (PubChem CID 145225486) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane.

Molecular Properties

Compound Name4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
PubChem CID145225486
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
SMILESCC.CC1CCCn2nccc2N(C)C1=O
InChIInChI=1S/C10H15N3O.C2H6/c1-8-4-3-7-13-9(5-6-11-13)12(2)10(8)14;1-2/h5-6,8H,3-4,7H2,1-2H3;1-2H3
InChIKeyRJTSLZSQWUXSFN-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane with MolForge

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Related Compounds

ethane;3,4,6-trimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225215
(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine
CID 154021087
ethane;4-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 142387767
(6R)-2-(2-hydroxyethyl)-4,6-dimethyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225417
4-[(6S)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-5-phenyl-5,6-dihydro-4H-pyrrolo[1,2-c]triazole-3-carboxamide
CID 140764715
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
CID 145225030
1,3-dimethyl-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-2-one;ethane
CID 145225527
4-methyl-1-(2-methylpyrazol-3-yl)piperidine
CID 130250395
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane?
The IUPAC name of 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane (CID 145225486) is 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane.
What is the SMILES notation for 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane?
The canonical SMILES for 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane is CC.CC1CCCn2nccc2N(C)C1=O.
What is the InChIKey of 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane?
The InChIKey is RJTSLZSQWUXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-8-4-3-7-13-9(5-6-11-13)12(2)10(8)14;1-2/h5-6,8H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane?
4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane has a molecular weight of 223.32 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane is sourced from PubChem (CID 145225486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).