tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

C10H17N5O2 — CID 59226010

IUPACtert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2nn(N)c(N)c2C1
InChIInChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)14-4-6-7(5-14)13-15(12)8(6)11/h4-5,11-12H2,1-3H3
InChIKeyDCVZSNVBLMILTI-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.43
Rot. Bonds

About tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (PubChem CID 59226010) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
PubChem CID59226010
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Nametert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2nn(N)c(N)c2C1
InChIInChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)14-4-6-7(5-14)13-15(12)8(6)11/h4-5,11-12H2,1-3H3
InChIKeyDCVZSNVBLMILTI-UHFFFAOYSA-N
XLogP0.43
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The IUPAC name of tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (CID 59226010) is tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2nn(N)c(N)c2C1.
What is the InChIKey of tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The InChIKey is DCVZSNVBLMILTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)14-4-6-7(5-14)13-15(12)8(6)11/h4-5,11-12H2,1-3H3.
What are the key properties of tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate has a molecular weight of 239.28 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is sourced from PubChem (CID 59226010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).