1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium

C6H10N3+ — CID 86306459

IUPAC1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium
SMILESCn1ncc2c1C[NH2+]C2
InChIInChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3/p+1
InChIKeyZPRTZMMXOLTYSI-UHFFFAOYSA-O
MW124.17 g/mol
LogP-1.00
Rot. Bonds

About 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium

1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium (PubChem CID 86306459) has the molecular formula C6H10N3+ and a molecular weight of 124.17 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium
PubChem CID86306459
Molecular FormulaC6H10N3+
Molecular Weight124.17 g/mol
Exact Mass124.09
IUPAC Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium
SMILESCn1ncc2c1C[NH2+]C2
InChIInChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3/p+1
InChIKeyZPRTZMMXOLTYSI-UHFFFAOYSA-O
XLogP-1.00
TPSA34.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium (CID 86306459) is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium is Cn1ncc2c1C[NH2+]C2.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium?
The InChIKey is ZPRTZMMXOLTYSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N3/c1-9-6-4-7-2-5(6)3-8-9/h3,7H,2,4H2,1H3/p+1.
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium?
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium has a molecular weight of 124.17 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium is sourced from PubChem (CID 86306459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).