2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine

C3H6N6O4 — CID 156633046

IUPAC2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N(O)O)nc(N(O)O)n1
InChIInChI=1S/C3H6N6O4/c4-1-5-2(8(10)11)7-3(6-1)9(12)13/h10-13H,(H2,4,5,6,7)
InChIKeyJJUKXBIXADJCQC-UHFFFAOYSA-N
MW190.12 g/mol
LogP-1.38
Rot. Bonds2

About 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 156633046) has the molecular formula C3H6N6O4 and a molecular weight of 190.12 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine
PubChem CID156633046
Molecular FormulaC3H6N6O4
Molecular Weight190.12 g/mol
Exact Mass190.05
IUPAC Name2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N(O)O)nc(N(O)O)n1
InChIInChI=1S/C3H6N6O4/c4-1-5-2(8(10)11)7-3(6-1)9(12)13/h10-13H,(H2,4,5,6,7)
InChIKeyJJUKXBIXADJCQC-UHFFFAOYSA-N
XLogP-1.38
TPSA152.09 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine (CID 156633046) is 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine is Nc1nc(N(O)O)nc(N(O)O)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JJUKXBIXADJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O4/c4-1-5-2(8(10)11)7-3(6-1)9(12)13/h10-13H,(H2,4,5,6,7).
What are the key properties of 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 190.12 g/mol, XLogP of -1.38, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrahydroxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 156633046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).