pentane-1,3,5-tricarbohydrazide

C8H18N6O3 — CID 18368507

IUPACpentane-1,3,5-tricarbohydrazide
SMILESNNC(=O)CCC(CCC(=O)NN)C(=O)NN
InChIInChI=1S/C8H18N6O3/c9-12-6(15)3-1-5(8(17)14-11)2-4-7(16)13-10/h5H,1-4,9-11H2,(H,12,15)(H,13,16)(H,14,17)
InChIKeyFYZRKOJDZDVLQL-UHFFFAOYSA-N
MW246.27 g/mol
LogP-2.87
Rot. Bonds7

About pentane-1,3,5-tricarbohydrazide

pentane-1,3,5-tricarbohydrazide (PubChem CID 18368507) has the molecular formula C8H18N6O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is pentane-1,3,5-tricarbohydrazide.

Molecular Properties

Compound Namepentane-1,3,5-tricarbohydrazide
PubChem CID18368507
Molecular FormulaC8H18N6O3
Molecular Weight246.27 g/mol
Exact Mass246.14
IUPAC Namepentane-1,3,5-tricarbohydrazide
SMILESNNC(=O)CCC(CCC(=O)NN)C(=O)NN
InChIInChI=1S/C8H18N6O3/c9-12-6(15)3-1-5(8(17)14-11)2-4-7(16)13-10/h5H,1-4,9-11H2,(H,12,15)(H,13,16)(H,14,17)
InChIKeyFYZRKOJDZDVLQL-UHFFFAOYSA-N
XLogP-2.87
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.27
LogP ≤ 5-2.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
CID 102254875
(2R)-2-aminopentanedihydrazide
CID 13018201
2-(2-hydroxy-3-propan-2-yloxypropyl)pentanedihydrazide
CID 3743875
butanedihydrazide;hydrochloride
CID 54607274
2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide
CID 3100698
hexane-1,1,6-tricarbohydrazide
CID 91506149
heptane-1,1,7-tricarbohydrazide
CID 91008212
3-methylhexanedihydrazide
CID 141312622
2-acetylhexanedihydrazide
CID 141350110
2-propylhexanehydrazide
CID 86746660
hexanedihydrazide;pentanedihydrazide
CID 157195533
2-octylbutanedihydrazide
CID 19764915

Frequently Asked Questions

What is the IUPAC name of pentane-1,3,5-tricarbohydrazide?
The IUPAC name of pentane-1,3,5-tricarbohydrazide (CID 18368507) is pentane-1,3,5-tricarbohydrazide.
What is the SMILES notation for pentane-1,3,5-tricarbohydrazide?
The canonical SMILES for pentane-1,3,5-tricarbohydrazide is NNC(=O)CCC(CCC(=O)NN)C(=O)NN.
What is the InChIKey of pentane-1,3,5-tricarbohydrazide?
The InChIKey is FYZRKOJDZDVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6O3/c9-12-6(15)3-1-5(8(17)14-11)2-4-7(16)13-10/h5H,1-4,9-11H2,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of pentane-1,3,5-tricarbohydrazide?
pentane-1,3,5-tricarbohydrazide has a molecular weight of 246.27 g/mol, XLogP of -2.87, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,3,5-tricarbohydrazide is sourced from PubChem (CID 18368507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).