2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C5H9N5O2 — CID 22238797

IUPAC2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1ncnc(N(O)O)n1
InChIInChI=1S/C5H9N5O2/c1-9(2)4-6-3-7-5(8-4)10(11)12/h3,11-12H,1-2H3
InChIKeyCSVITBKNFOECHE-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.48
Rot. Bonds2

About 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 22238797) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID22238797
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1ncnc(N(O)O)n1
InChIInChI=1S/C5H9N5O2/c1-9(2)4-6-3-7-5(8-4)10(11)12/h3,11-12H,1-2H3
InChIKeyCSVITBKNFOECHE-UHFFFAOYSA-N
XLogP-0.48
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 22238797) is 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1ncnc(N(O)O)n1.
What is the InChIKey of 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CSVITBKNFOECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-9(2)4-6-3-7-5(8-4)10(11)12/h3,11-12H,1-2H3.
What are the key properties of 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 171.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dihydroxy-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22238797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).