3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid

C6H8N4O2 — CID 67388880

IUPAC3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESNc1n[nH]c2c1CN(C(=O)O)C2
InChIInChI=1S/C6H8N4O2/c7-5-3-1-10(6(11)12)2-4(3)8-9-5/h1-2H2,(H,11,12)(H3,7,8,9)
InChIKeyKHDGWHPQBXXPSM-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.01
Rot. Bonds

About 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid

3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid (PubChem CID 67388880) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid
PubChem CID67388880
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESNc1n[nH]c2c1CN(C(=O)O)C2
InChIInChI=1S/C6H8N4O2/c7-5-3-1-10(6(11)12)2-4(3)8-9-5/h1-2H2,(H,11,12)(H3,7,8,9)
InChIKeyKHDGWHPQBXXPSM-UHFFFAOYSA-N
XLogP-0.01
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester
CID 11333571
1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazol-3-amine
CID 16784575
5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83916459
3-Amino-4,6-dihydropyrrolo[3,4-d]pyrazole-1,5-dicarboxylic acid
CID 21874044
1-(3-Aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)ethanone
CID 45086370
1-[3-(methylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 57555885
Tert-butyl 2,3-diamino-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 59226010
3-Amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 66738815
3-acetamido-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 68441642
N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)acetamide
CID 68441876
5-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82418443
1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
CID 84665518

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid (CID 67388880) is 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid is Nc1n[nH]c2c1CN(C(=O)O)C2.
What is the InChIKey of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The InChIKey is KHDGWHPQBXXPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-5-3-1-10(6(11)12)2-4(3)8-9-5/h1-2H2,(H,11,12)(H3,7,8,9).
What are the key properties of 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid?
3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid has a molecular weight of 168.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 67388880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).