6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine

C12H26N8 — CID 106043693

IUPAC6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)CCCNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C12H26N8/c1-9(2)20(5)8-6-7-14-10-15-11(18-13)17-12(16-10)19(3)4/h9H,6-8,13H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyQOEAJVBHQUZTMD-UHFFFAOYSA-N
MW282.40 g/mol
LogP0.37
Rot. Bonds8

About 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine

6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106043693) has the molecular formula C12H26N8 and a molecular weight of 282.40 g/mol. Its IUPAC name is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
PubChem CID106043693
Molecular FormulaC12H26N8
Molecular Weight282.40 g/mol
Exact Mass282.23
IUPAC Name6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)CCCNc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C12H26N8/c1-9(2)20(5)8-6-7-14-10-15-11(18-13)17-12(16-10)19(3)4/h9H,6-8,13H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyQOEAJVBHQUZTMD-UHFFFAOYSA-N
XLogP0.37
TPSA95.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 50.37
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine is CC(C)N(C)CCCNc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QOEAJVBHQUZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N8/c1-9(2)20(5)8-6-7-14-10-15-11(18-13)17-12(16-10)19(3)4/h9H,6-8,13H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of 6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 282.40 g/mol, XLogP of 0.37, 8 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-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106043693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).