heptane-1,1,7-tricarbohydrazide

C10H22N6O3 — CID 91008212

IUPACheptane-1,1,7-tricarbohydrazide
SMILESNNC(=O)CCCCCCC(C(=O)NN)C(=O)NN
InChIInChI=1S/C10H22N6O3/c11-14-8(17)6-4-2-1-3-5-7(9(18)15-12)10(19)16-13/h7H,1-6,11-13H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyRGUMNUDFEYFVNR-UHFFFAOYSA-N
MW274.32 g/mol
LogP-2.09
Rot. Bonds9

About heptane-1,1,7-tricarbohydrazide

heptane-1,1,7-tricarbohydrazide (PubChem CID 91008212) has the molecular formula C10H22N6O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is heptane-1,1,7-tricarbohydrazide.

Molecular Properties

Compound Nameheptane-1,1,7-tricarbohydrazide
PubChem CID91008212
Molecular FormulaC10H22N6O3
Molecular Weight274.32 g/mol
Exact Mass274.18
IUPAC Nameheptane-1,1,7-tricarbohydrazide
SMILESNNC(=O)CCCCCCC(C(=O)NN)C(=O)NN
InChIInChI=1S/C10H22N6O3/c11-14-8(17)6-4-2-1-3-5-7(9(18)15-12)10(19)16-13/h7H,1-6,11-13H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyRGUMNUDFEYFVNR-UHFFFAOYSA-N
XLogP-2.09
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.32
LogP ≤ 5-2.09
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

hexane-1,1,6-tricarbohydrazide
CID 91506149
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 heptane-1,1,7-tricarbohydrazide?
The IUPAC name of heptane-1,1,7-tricarbohydrazide (CID 91008212) is heptane-1,1,7-tricarbohydrazide.
What is the SMILES notation for heptane-1,1,7-tricarbohydrazide?
The canonical SMILES for heptane-1,1,7-tricarbohydrazide is NNC(=O)CCCCCCC(C(=O)NN)C(=O)NN.
What is the InChIKey of heptane-1,1,7-tricarbohydrazide?
The InChIKey is RGUMNUDFEYFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O3/c11-14-8(17)6-4-2-1-3-5-7(9(18)15-12)10(19)16-13/h7H,1-6,11-13H2,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of heptane-1,1,7-tricarbohydrazide?
heptane-1,1,7-tricarbohydrazide has a molecular weight of 274.32 g/mol, XLogP of -2.09, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,1,7-tricarbohydrazide is sourced from PubChem (CID 91008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).