3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine

C4H4N6O2 — CID 135582783

IUPAC3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine
SMILESNc1n[nH]c2c([N+](=O)[O-])[nH]nc12
InChIInChI=1S/C4H4N6O2/c5-3-1-2(7-8-3)4(9-6-1)10(11)12/h(H,6,9)(H3,5,7,8)
InChIKeyINYFZVREYBICLW-UHFFFAOYSA-N
MW168.12 g/mol
LogP-0.22
Rot. Bonds1

About 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine

3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine (PubChem CID 135582783) has the molecular formula C4H4N6O2 and a molecular weight of 168.12 g/mol. Its IUPAC name is 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine.

Molecular Properties

Compound Name3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine
PubChem CID135582783
Molecular FormulaC4H4N6O2
Molecular Weight168.12 g/mol
Exact Mass168.04
IUPAC Name3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine
SMILESNc1n[nH]c2c([N+](=O)[O-])[nH]nc12
InChIInChI=1S/C4H4N6O2/c5-3-1-2(7-8-3)4(9-6-1)10(11)12/h(H,6,9)(H3,5,7,8)
InChIKeyINYFZVREYBICLW-UHFFFAOYSA-N
XLogP-0.22
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine?
The IUPAC name of 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine (CID 135582783) is 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine.
What is the SMILES notation for 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine?
The canonical SMILES for 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine is Nc1n[nH]c2c([N+](=O)[O-])[nH]nc12.
What is the InChIKey of 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine?
The InChIKey is INYFZVREYBICLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O2/c5-3-1-2(7-8-3)4(9-6-1)10(11)12/h(H,6,9)(H3,5,7,8).
What are the key properties of 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine?
3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine has a molecular weight of 168.12 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2,4-dihydropyrazolo[4,3-c]pyrazol-6-amine is sourced from PubChem (CID 135582783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).