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

C13H27N7 — CID 106332376

IUPAC4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NC(C)(CC)CC)n1
InChIInChI=1S/C13H27N7/c1-6-13(5,7-2)18-10-15-11(19-14)17-12(16-10)20(8-3)9-4/h6-9,14H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyXBRIVPFTGSOABT-UHFFFAOYSA-N
MW281.41 g/mol
LogP1.99
Rot. Bonds8

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

4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 106332376) has the molecular formula C13H27N7 and a molecular weight of 281.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID106332376
Molecular FormulaC13H27N7
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NC(C)(CC)CC)n1
InChIInChI=1S/C13H27N7/c1-6-13(5,7-2)18-10-15-11(19-14)17-12(16-10)20(8-3)9-4/h6-9,14H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyXBRIVPFTGSOABT-UHFFFAOYSA-N
XLogP1.99
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine (CID 106332376) is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(NC(C)(CC)CC)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XBRIVPFTGSOABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7/c1-6-13(5,7-2)18-10-15-11(19-14)17-12(16-10)20(8-3)9-4/h6-9,14H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106332376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).