1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol

C13H27N7O — CID 107159869

IUPAC1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
SMILESCCN(CC)c1nc(NN)nc(NCC(O)CC(C)C)n1
InChIInChI=1S/C13H27N7O/c1-5-20(6-2)13-17-11(16-12(18-13)19-14)15-8-10(21)7-9(3)4/h9-10,21H,5-8,14H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyXNCBZPUXMIYIBE-UHFFFAOYSA-N
MW297.41 g/mol
LogP0.82
Rot. Bonds9

About 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol

1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol (PubChem CID 107159869) has the molecular formula C13H27N7O and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
PubChem CID107159869
Molecular FormulaC13H27N7O
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
SMILESCCN(CC)c1nc(NN)nc(NCC(O)CC(C)C)n1
InChIInChI=1S/C13H27N7O/c1-5-20(6-2)13-17-11(16-12(18-13)19-14)15-8-10(21)7-9(3)4/h9-10,21H,5-8,14H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyXNCBZPUXMIYIBE-UHFFFAOYSA-N
XLogP0.82
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 50.82
H-Bond Donors ≤ 54
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 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol (CID 107159869) is 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol is CCN(CC)c1nc(NN)nc(NCC(O)CC(C)C)n1.
What is the InChIKey of 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
The InChIKey is XNCBZPUXMIYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7O/c1-5-20(6-2)13-17-11(16-12(18-13)19-14)15-8-10(21)7-9(3)4/h9-10,21H,5-8,14H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol?
1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol has a molecular weight of 297.41 g/mol, XLogP of 0.82, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).