2-aminopropanedihydrazide

C3H9N5O2 — CID 87337094

IUPAC2-aminopropanedihydrazide
SMILESNNC(=O)C(N)C(=O)NN
InChIInChI=1S/C3H9N5O2/c4-1(2(9)7-5)3(10)8-6/h1H,4-6H2,(H,7,9)(H,8,10)
InChIKeySSTSJLNPNVYKDD-UHFFFAOYSA-N
MW147.14 g/mol
LogP-3.71
Rot. Bonds2

About 2-aminopropanedihydrazide

2-aminopropanedihydrazide (PubChem CID 87337094) has the molecular formula C3H9N5O2 and a molecular weight of 147.14 g/mol. Its IUPAC name is 2-aminopropanedihydrazide.

Molecular Properties

Compound Name2-aminopropanedihydrazide
PubChem CID87337094
Molecular FormulaC3H9N5O2
Molecular Weight147.14 g/mol
Exact Mass147.08
IUPAC Name2-aminopropanedihydrazide
SMILESNNC(=O)C(N)C(=O)NN
InChIInChI=1S/C3H9N5O2/c4-1(2(9)7-5)3(10)8-6/h1H,4-6H2,(H,7,9)(H,8,10)
InChIKeySSTSJLNPNVYKDD-UHFFFAOYSA-N
XLogP-3.71
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-3.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanedihydrazide?
The IUPAC name of 2-aminopropanedihydrazide (CID 87337094) is 2-aminopropanedihydrazide.
What is the SMILES notation for 2-aminopropanedihydrazide?
The canonical SMILES for 2-aminopropanedihydrazide is NNC(=O)C(N)C(=O)NN.
What is the InChIKey of 2-aminopropanedihydrazide?
The InChIKey is SSTSJLNPNVYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5O2/c4-1(2(9)7-5)3(10)8-6/h1H,4-6H2,(H,7,9)(H,8,10).
What are the key properties of 2-aminopropanedihydrazide?
2-aminopropanedihydrazide has a molecular weight of 147.14 g/mol, XLogP of -3.71, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanedihydrazide is sourced from PubChem (CID 87337094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).