sulfuric acid;triazin-4-amine

C3H6N4O4S — CID 66602143

IUPACsulfuric acid;triazin-4-amine
SMILESNc1ccnnn1.O=S(=O)(O)O
InChIInChI=1S/C3H4N4.H2O4S/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H2,1,2,3,4)
InChIKeyDKMKZSWJCOWHSD-UHFFFAOYSA-N
MW194.17 g/mol
LogP-1.20
Rot. Bonds

About sulfuric acid;triazin-4-amine

sulfuric acid;triazin-4-amine (PubChem CID 66602143) has the molecular formula C3H6N4O4S and a molecular weight of 194.17 g/mol. Its IUPAC name is sulfuric acid;triazin-4-amine.

Molecular Properties

Compound Namesulfuric acid;triazin-4-amine
PubChem CID66602143
Molecular FormulaC3H6N4O4S
Molecular Weight194.17 g/mol
Exact Mass194.01
IUPAC Namesulfuric acid;triazin-4-amine
SMILESNc1ccnnn1.O=S(=O)(O)O
InChIInChI=1S/C3H4N4.H2O4S/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H2,1,2,3,4)
InChIKeyDKMKZSWJCOWHSD-UHFFFAOYSA-N
XLogP-1.20
TPSA139.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Triazin-4-amine
CID 18544386
Hydrazinotriazine
CID 22352238
N-fluorotriazin-4-amine
CID 19422364
(Triazinediyl)bis sulfamic acid
CID 129855321
Azidoaminotriazine
CID 135121399
Pyrazole-1,3-diamine;sulfuric acid
CID 18982171
N-chlorotriazin-4-amine
CID 19609407
Formaldehyde;triazin-4-amine
CID 19877061
Sulfamic acid;triazin-4-amine
CID 67707689
Boric acid;triazin-4-amine
CID 67707715
Phosphoric acid;triazin-4-amine
CID 67739552
Triazin-4-amine;dihydrochloride
CID 69620841

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;triazin-4-amine?
The IUPAC name of sulfuric acid;triazin-4-amine (CID 66602143) is sulfuric acid;triazin-4-amine.
What is the SMILES notation for sulfuric acid;triazin-4-amine?
The canonical SMILES for sulfuric acid;triazin-4-amine is Nc1ccnnn1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;triazin-4-amine?
The InChIKey is DKMKZSWJCOWHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.H2O4S/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H2,1,2,3,4).
What are the key properties of sulfuric acid;triazin-4-amine?
sulfuric acid;triazin-4-amine has a molecular weight of 194.17 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;triazin-4-amine is sourced from PubChem (CID 66602143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).