5-nitrotriazole-1,4-diamine

C2H4N6O2 — CID 132533423

IUPAC5-nitrotriazole-1,4-diamine
SMILESNc1nnn(N)c1[N+](=O)[O-]
InChIInChI=1S/C2H4N6O2/c3-1-2(8(9)10)7(4)6-5-1/h3-4H2
InChIKeyGWUYDAOMZMLQJJ-UHFFFAOYSA-N
MW144.09 g/mol
LogP-1.52
Rot. Bonds1

About 5-nitrotriazole-1,4-diamine

5-nitrotriazole-1,4-diamine (PubChem CID 132533423) has the molecular formula C2H4N6O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is 5-nitrotriazole-1,4-diamine.

Molecular Properties

Compound Name5-nitrotriazole-1,4-diamine
PubChem CID132533423
Molecular FormulaC2H4N6O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Name5-nitrotriazole-1,4-diamine
SMILESNc1nnn(N)c1[N+](=O)[O-]
InChIInChI=1S/C2H4N6O2/c3-1-2(8(9)10)7(4)6-5-1/h3-4H2
InChIKeyGWUYDAOMZMLQJJ-UHFFFAOYSA-N
XLogP-1.52
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

nitric acid;tetrazole-1,5-diamine
CID 13378165
2,4-dinitroimidazole-1,5-diamine
CID 132533422
5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine
CID 79508197
1,4,6-trimethyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 5299649
hydroxylamine;2-hydroxy-5-nitrotetrazole
CID 175730061
(5-aminotetrazol-1-yl) nitrate
CID 70017504
4-[5-[1-(4-nitrophenyl)tetrazol-5-yl]tetrazol-1-yl]aniline
CID 57134720
1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine
CID 132513692
1-(5-chloro-2-methyl-4-nitrophenyl)-5-methyltriazol-4-amine
CID 113439032
1-(4-fluoro-3-nitrophenyl)-5-methyltriazol-4-amine
CID 79508285
1-[(4-amino-3,5-dinitropyrazol-1-yl)methoxymethyl]-3,5-dinitropyrazol-4-amine
CID 122380424
2,3,5,6-tetranitrobenzene-1,4-diamine
CID 14921108

Frequently Asked Questions

What is the IUPAC name of 5-nitrotriazole-1,4-diamine?
The IUPAC name of 5-nitrotriazole-1,4-diamine (CID 132533423) is 5-nitrotriazole-1,4-diamine.
What is the SMILES notation for 5-nitrotriazole-1,4-diamine?
The canonical SMILES for 5-nitrotriazole-1,4-diamine is Nc1nnn(N)c1[N+](=O)[O-].
What is the InChIKey of 5-nitrotriazole-1,4-diamine?
The InChIKey is GWUYDAOMZMLQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N6O2/c3-1-2(8(9)10)7(4)6-5-1/h3-4H2.
What are the key properties of 5-nitrotriazole-1,4-diamine?
5-nitrotriazole-1,4-diamine has a molecular weight of 144.09 g/mol, XLogP of -1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrotriazole-1,4-diamine is sourced from PubChem (CID 132533423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).