(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C7H9BrN4O — CID 163235561

IUPAC(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1Cn2nc(Br)c(N)c2C(=O)N1
InChIInChI=1S/C7H9BrN4O/c1-3-2-12-5(7(13)10-3)4(9)6(8)11-12/h3H,2,9H2,1H3,(H,10,13)/t3-/m0/s1
InChIKeyTWDDWCCDPFCSMU-VKHMYHEASA-N
MW245.08 g/mol
LogP0.36
Rot. Bonds

About (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235561) has the molecular formula C7H9BrN4O and a molecular weight of 245.08 g/mol. Its IUPAC name is (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235561
Molecular FormulaC7H9BrN4O
Molecular Weight245.08 g/mol
Exact Mass244.00
IUPAC Name(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1Cn2nc(Br)c(N)c2C(=O)N1
InChIInChI=1S/C7H9BrN4O/c1-3-2-12-5(7(13)10-3)4(9)6(8)11-12/h3H,2,9H2,1H3,(H,10,13)/t3-/m0/s1
InChIKeyTWDDWCCDPFCSMU-VKHMYHEASA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235561) is (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@H]1Cn2nc(Br)c(N)c2C(=O)N1.
What is the InChIKey of (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is TWDDWCCDPFCSMU-VKHMYHEASA-N. The full InChI is InChI=1S/C7H9BrN4O/c1-3-2-12-5(7(13)10-3)4(9)6(8)11-12/h3H,2,9H2,1H3,(H,10,13)/t3-/m0/s1.
What are the key properties of (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 245.08 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-amino-2-bromo-6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).