5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine

C7H10N4O — CID 122448088

IUPAC5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine
SMILESNc1n[nH]c2c1CN(O)C21CC1
InChIInChI=1S/C7H10N4O/c8-6-4-3-11(12)7(1-2-7)5(4)9-10-6/h12H,1-3H2,(H3,8,9,10)
InChIKeyRBPHXVNCSUYXJG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.19
Rot. Bonds

About 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine

5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine (PubChem CID 122448088) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine.

Molecular Properties

Compound Name5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine
PubChem CID122448088
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine
SMILESNc1n[nH]c2c1CN(O)C21CC1
InChIInChI=1S/C7H10N4O/c8-6-4-3-11(12)7(1-2-7)5(4)9-10-6/h12H,1-3H2,(H3,8,9,10)
InChIKeyRBPHXVNCSUYXJG-UHFFFAOYSA-N
XLogP0.19
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine?
The IUPAC name of 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine (CID 122448088) is 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine.
What is the SMILES notation for 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine?
The canonical SMILES for 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine is Nc1n[nH]c2c1CN(O)C21CC1.
What is the InChIKey of 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine?
The InChIKey is RBPHXVNCSUYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-6-4-3-11(12)7(1-2-7)5(4)9-10-6/h12H,1-3H2,(H3,8,9,10).
What are the key properties of 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine?
5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine has a molecular weight of 166.18 g/mol, XLogP of 0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyspiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclopropane]-3-amine is sourced from PubChem (CID 122448088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).