hexane-1,1,6-tricarbohydrazide

C9H20N6O3 — CID 91506149

IUPAChexane-1,1,6-tricarbohydrazide
SMILESNNC(=O)CCCCCC(C(=O)NN)C(=O)NN
InChIInChI=1S/C9H20N6O3/c10-13-7(16)5-3-1-2-4-6(8(17)14-11)9(18)15-12/h6H,1-5,10-12H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyXMKBUNAXPDZXKA-UHFFFAOYSA-N
MW260.30 g/mol
LogP-2.48
Rot. Bonds8

About hexane-1,1,6-tricarbohydrazide

hexane-1,1,6-tricarbohydrazide (PubChem CID 91506149) has the molecular formula C9H20N6O3 and a molecular weight of 260.30 g/mol. Its IUPAC name is hexane-1,1,6-tricarbohydrazide.

Molecular Properties

Compound Namehexane-1,1,6-tricarbohydrazide
PubChem CID91506149
Molecular FormulaC9H20N6O3
Molecular Weight260.30 g/mol
Exact Mass260.16
IUPAC Namehexane-1,1,6-tricarbohydrazide
SMILESNNC(=O)CCCCCC(C(=O)NN)C(=O)NN
InChIInChI=1S/C9H20N6O3/c10-13-7(16)5-3-1-2-4-6(8(17)14-11)9(18)15-12/h6H,1-5,10-12H2,(H,13,16)(H,14,17)(H,15,18)
InChIKeyXMKBUNAXPDZXKA-UHFFFAOYSA-N
XLogP-2.48
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.30
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

heptane-1,1,7-tricarbohydrazide
CID 91008212
2-acetylhexanedihydrazide
CID 141350110
hexanedihydrazide;pentanedihydrazide
CID 157195533
12-hydroxydodecanehydrazide
CID 12718243
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941
pentane-1,3,5-tricarbohydrazide
CID 18368507
(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
CID 102254875
(2R)-2-aminopentanedihydrazide
CID 13018201
2-aminopentanedioic acid;hexanedihydrazide
CID 175294666
butanedihydrazide;hydrochloride
CID 54607274
2-octylbutanedihydrazide
CID 19764915

Frequently Asked Questions

What is the IUPAC name of hexane-1,1,6-tricarbohydrazide?
The IUPAC name of hexane-1,1,6-tricarbohydrazide (CID 91506149) is hexane-1,1,6-tricarbohydrazide.
What is the SMILES notation for hexane-1,1,6-tricarbohydrazide?
The canonical SMILES for hexane-1,1,6-tricarbohydrazide is NNC(=O)CCCCCC(C(=O)NN)C(=O)NN.
What is the InChIKey of hexane-1,1,6-tricarbohydrazide?
The InChIKey is XMKBUNAXPDZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6O3/c10-13-7(16)5-3-1-2-4-6(8(17)14-11)9(18)15-12/h6H,1-5,10-12H2,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of hexane-1,1,6-tricarbohydrazide?
hexane-1,1,6-tricarbohydrazide has a molecular weight of 260.30 g/mol, XLogP of -2.48, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,1,6-tricarbohydrazide is sourced from PubChem (CID 91506149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).