(6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

About (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

(6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 23568470) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name	(6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID	23568470
Molecular Formula	C12H17ClN4O3
Molecular Weight	300.75 g/mol
Exact Mass	300.10
IUPAC Name	(6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
SMILES	CN(C)Nc1nc(Cl)c2n(c1=O)[C@H](C(=O)O)CC2(C)C
InChI	InChI=1S/C12H17ClN4O3/c1-12(2)5-6(11(19)20)17-7(12)8(13)14-9(10(17)18)15-16(3)4/h6H,5H2,1-4H3,(H,14,15)(H,19,20)/t6-/m0/s1
InChIKey	LFAJKWFXDGUJPE-LURJTMIESA-N
XLogP	1.09
TPSA	87.46 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.75
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?

The IUPAC name of (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid (CID 23568470) is (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid.

What is the SMILES notation for (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?

The canonical SMILES for (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is CN(C)Nc1nc(Cl)c2n(c1=O)[C@H](C(=O)O)CC2(C)C.

What is the InChIKey of (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?

The InChIKey is LFAJKWFXDGUJPE-LURJTMIESA-N. The full InChI is InChI=1S/C12H17ClN4O3/c1-12(2)5-6(11(19)20)17-7(12)8(13)14-9(10(17)18)15-16(3)4/h6H,5H2,1-4H3,(H,14,15)(H,19,20)/t6-/m0/s1.

What are the key properties of (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid?

(6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-1-chloro-3-(2,2-dimethylhydrazinyl)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 23568470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).