1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C5H7N3 — CID 10943091

IUPAC1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESc1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3/c1-4-2-7-8-5(4)3-6-1/h2,6H,1,3H2,(H,7,8)
InChIKeyCVRWHBCQJCUBFE-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.01
Rot. Bonds

About 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 10943091) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID10943091
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESc1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3/c1-4-2-7-8-5(4)3-6-1/h2,6H,1,3H2,(H,7,8)
InChIKeyCVRWHBCQJCUBFE-UHFFFAOYSA-N
XLogP0.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 10943091) is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is c1n[nH]c2c1CNC2.
What is the InChIKey of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is CVRWHBCQJCUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-4-2-7-8-5(4)3-6-1/h2,6H,1,3H2,(H,7,8).
What are the key properties of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 109.13 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 10943091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).