6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine

C11H23N7O — CID 82946845

IUPAC6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOCCCNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H23N7O/c1-4-7-19-8-5-6-13-9-14-10(17-12)16-11(15-9)18(2)3/h4-8,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyHVQVSUNAHLBGNX-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.45
Rot. Bonds9

About 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine

6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 82946845) has the molecular formula C11H23N7O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine
PubChem CID82946845
Molecular FormulaC11H23N7O
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOCCCNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H23N7O/c1-4-7-19-8-5-6-13-9-14-10(17-12)16-11(15-9)18(2)3/h4-8,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyHVQVSUNAHLBGNX-UHFFFAOYSA-N
XLogP0.45
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106043693
ethyl 4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]butanoate
CID 80915400
2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311620
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841533
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 80915923
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
4-N-(2-ethoxyethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80793588
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(2-pyrazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80896522

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine (CID 82946845) is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine is CCCOCCCNc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HVQVSUNAHLBGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7O/c1-4-7-19-8-5-6-13-9-14-10(17-12)16-11(15-9)18(2)3/h4-8,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82946845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).