3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine

C6H11N5O2 — CID 12708077

IUPAC3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine
SMILESCNc1[nH]nc(N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C6H11N5O2/c1-7-5-4(11(12)13)6(9-8-5)10(2)3/h1-3H3,(H2,7,8,9)
InChIKeyUVUIXCCRJPBNDI-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.43
Rot. Bonds3

About 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine

3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine (PubChem CID 12708077) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine
PubChem CID12708077
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine
SMILESCNc1[nH]nc(N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C6H11N5O2/c1-7-5-4(11(12)13)6(9-8-5)10(2)3/h1-3H3,(H2,7,8,9)
InChIKeyUVUIXCCRJPBNDI-UHFFFAOYSA-N
XLogP0.43
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
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-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine (CID 12708077) is 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine is CNc1[nH]nc(N(C)C)c1[N+](=O)[O-].
What is the InChIKey of 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine?
The InChIKey is UVUIXCCRJPBNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-7-5-4(11(12)13)6(9-8-5)10(2)3/h1-3H3,(H2,7,8,9).
What are the key properties of 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine?
3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine has a molecular weight of 185.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,5-N-trimethyl-4-nitro-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 12708077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).