2-[2-(triazol-1-yl)acetyl]pentanehydrazide

C9H15N5O2 — CID 141017311

IUPAC2-[2-(triazol-1-yl)acetyl]pentanehydrazide
SMILESCCCC(C(=O)Cn1ccnn1)C(=O)NN
InChIInChI=1S/C9H15N5O2/c1-2-3-7(9(16)12-10)8(15)6-14-5-4-11-13-14/h4-5,7H,2-3,6,10H2,1H3,(H,12,16)
InChIKeyWLCVPOMEVBSXQB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.75
Rot. Bonds6

About 2-[2-(triazol-1-yl)acetyl]pentanehydrazide

2-[2-(triazol-1-yl)acetyl]pentanehydrazide (PubChem CID 141017311) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[2-(triazol-1-yl)acetyl]pentanehydrazide.

Molecular Properties

Compound Name2-[2-(triazol-1-yl)acetyl]pentanehydrazide
PubChem CID141017311
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[2-(triazol-1-yl)acetyl]pentanehydrazide
SMILESCCCC(C(=O)Cn1ccnn1)C(=O)NN
InChIInChI=1S/C9H15N5O2/c1-2-3-7(9(16)12-10)8(15)6-14-5-4-11-13-14/h4-5,7H,2-3,6,10H2,1H3,(H,12,16)
InChIKeyWLCVPOMEVBSXQB-UHFFFAOYSA-N
XLogP-0.75
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(triazol-1-yl)acetyl]pentanehydrazide?
The IUPAC name of 2-[2-(triazol-1-yl)acetyl]pentanehydrazide (CID 141017311) is 2-[2-(triazol-1-yl)acetyl]pentanehydrazide.
What is the SMILES notation for 2-[2-(triazol-1-yl)acetyl]pentanehydrazide?
The canonical SMILES for 2-[2-(triazol-1-yl)acetyl]pentanehydrazide is CCCC(C(=O)Cn1ccnn1)C(=O)NN.
What is the InChIKey of 2-[2-(triazol-1-yl)acetyl]pentanehydrazide?
The InChIKey is WLCVPOMEVBSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-3-7(9(16)12-10)8(15)6-14-5-4-11-13-14/h4-5,7H,2-3,6,10H2,1H3,(H,12,16).
What are the key properties of 2-[2-(triazol-1-yl)acetyl]pentanehydrazide?
2-[2-(triazol-1-yl)acetyl]pentanehydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(triazol-1-yl)acetyl]pentanehydrazide is sourced from PubChem (CID 141017311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).