5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile

C7H8N4 — CID 105429194

IUPAC5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile
SMILESCN1Cc2[nH]nc(C#N)c2C1
InChIInChI=1S/C7H8N4/c1-11-3-5-6(2-8)9-10-7(5)4-11/h3-4H2,1H3,(H,9,10)
InChIKeyJJTCOLXEXZZSAV-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.23
Rot. Bonds

About 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile

5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile (PubChem CID 105429194) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile
PubChem CID105429194
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile
SMILESCN1Cc2[nH]nc(C#N)c2C1
InChIInChI=1S/C7H8N4/c1-11-3-5-6(2-8)9-10-7(5)4-11/h3-4H2,1H3,(H,9,10)
InChIKeyJJTCOLXEXZZSAV-UHFFFAOYSA-N
XLogP0.23
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile?
The IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile (CID 105429194) is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile.
What is the SMILES notation for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile?
The canonical SMILES for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile is CN1Cc2[nH]nc(C#N)c2C1.
What is the InChIKey of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile?
The InChIKey is JJTCOLXEXZZSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-3-5-6(2-8)9-10-7(5)4-11/h3-4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile?
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbonitrile is sourced from PubChem (CID 105429194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).