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

C5H8ClN3 — CID 66521745

IUPAC1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCl.c1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3.ClH/c1-4-2-7-8-5(4)3-6-1;/h2,6H,1,3H2,(H,7,8);1H
InChIKeyXNBOTNWYTFAMAA-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.43
Rot. Bonds

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

1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride (PubChem CID 66521745) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride
PubChem CID66521745
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCl.c1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3.ClH/c1-4-2-7-8-5(4)3-6-1;/h2,6H,1,3H2,(H,7,8);1H
InChIKeyXNBOTNWYTFAMAA-UHFFFAOYSA-N
XLogP0.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.43
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;hydrochloride?
The IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride (CID 66521745) is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride.
What is the SMILES notation for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
The canonical SMILES for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride is Cl.c1n[nH]c2c1CNC2.
What is the InChIKey of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
The InChIKey is XNBOTNWYTFAMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.ClH/c1-4-2-7-8-5(4)3-6-1;/h2,6H,1,3H2,(H,7,8);1H.
What are the key properties of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride?
1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;hydrochloride has a molecular weight of 145.59 g/mol, XLogP of 0.43, 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;hydrochloride is sourced from PubChem (CID 66521745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).