(6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

C9H12N6O2 — CID 58812241

IUPAC(6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCn1nnc([C@H]2CCC3C(=O)NCC(=O)N32)n1
InChIInChI=1S/C9H12N6O2/c1-14-12-8(11-13-14)5-2-3-6-9(17)10-4-7(16)15(5)6/h5-6H,2-4H2,1H3,(H,10,17)/t5-,6?/m1/s1
InChIKeyGQSQHOKKEZFYKB-LWOQYNTDSA-N
MW236.23 g/mol
LogP-1.63
Rot. Bonds1

About (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 58812241) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID58812241
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name(6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCn1nnc([C@H]2CCC3C(=O)NCC(=O)N32)n1
InChIInChI=1S/C9H12N6O2/c1-14-12-8(11-13-14)5-2-3-6-9(17)10-4-7(16)15(5)6/h5-6H,2-4H2,1H3,(H,10,17)/t5-,6?/m1/s1
InChIKeyGQSQHOKKEZFYKB-LWOQYNTDSA-N
XLogP-1.63
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 58812241) is (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is Cn1nnc([C@H]2CCC3C(=O)NCC(=O)N32)n1.
What is the InChIKey of (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is GQSQHOKKEZFYKB-LWOQYNTDSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-14-12-8(11-13-14)5-2-3-6-9(17)10-4-7(16)15(5)6/h5-6H,2-4H2,1H3,(H,10,17)/t5-,6?/m1/s1.
What are the key properties of (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 236.23 g/mol, XLogP of -1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methyltetrazol-5-yl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 58812241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).