2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine

C13H25N7O — CID 80898529

IUPAC2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H25N7O/c1-4-20(5-2)13-16-11(18-14)15-12(17-13)19(3)10-6-8-21-9-7-10/h10H,4-9,14H2,1-3H3,(H,15,16,17,18)
InChIKeyUUGFLNFNSVSUNE-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.62
Rot. Bonds6

About 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80898529) has the molecular formula C13H25N7O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80898529
Molecular FormulaC13H25N7O
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H25N7O/c1-4-20(5-2)13-16-11(18-14)15-12(17-13)19(3)10-6-8-21-9-7-10/h10H,4-9,14H2,1-3H3,(H,15,16,17,18)
InChIKeyUUGFLNFNSVSUNE-UHFFFAOYSA-N
XLogP0.62
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine (CID 80898529) is 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(N(C)C2CCOCC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UUGFLNFNSVSUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7O/c1-4-20(5-2)13-16-11(18-14)15-12(17-13)19(3)10-6-8-21-9-7-10/h10H,4-9,14H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-4-N-(oxan-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80898529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).