4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine

C7H14N6O2 — CID 18680642

IUPAC4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(O)O)n1
InChIInChI=1S/C7H14N6O2/c1-3-12(4-2)6-9-5(8)10-7(11-6)13(14)15/h14-15H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyKYNVSTQADKRCDY-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.12
Rot. Bonds4

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

4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 18680642) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine
PubChem CID18680642
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(N(O)O)n1
InChIInChI=1S/C7H14N6O2/c1-3-12(4-2)6-9-5(8)10-7(11-6)13(14)15/h14-15H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyKYNVSTQADKRCDY-UHFFFAOYSA-N
XLogP-0.12
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine (CID 18680642) is 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(N(O)O)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KYNVSTQADKRCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O2/c1-3-12(4-2)6-9-5(8)10-7(11-6)13(14)15/h14-15H,3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine?
4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 214.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18680642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).