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

C9H15N5O2 — CID 91287848

IUPACN'-[2-(triazol-1-yl)acetyl]pentanehydrazide
SMILESCCCCC(=O)NNC(=O)Cn1ccnn1
InChIInChI=1S/C9H15N5O2/c1-2-3-4-8(15)11-12-9(16)7-14-6-5-10-13-14/h5-6H,2-4,7H2,1H3,(H,11,15)(H,12,16)
InChIKeyKDJHHXNROPYBAP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.38
Rot. Bonds5

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

N'-[2-(triazol-1-yl)acetyl]pentanehydrazide (PubChem CID 91287848) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N'-[2-(triazol-1-yl)acetyl]pentanehydrazide.

Molecular Properties

Compound NameN'-[2-(triazol-1-yl)acetyl]pentanehydrazide
PubChem CID91287848
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN'-[2-(triazol-1-yl)acetyl]pentanehydrazide
SMILESCCCCC(=O)NNC(=O)Cn1ccnn1
InChIInChI=1S/C9H15N5O2/c1-2-3-4-8(15)11-12-9(16)7-14-6-5-10-13-14/h5-6H,2-4,7H2,1H3,(H,11,15)(H,12,16)
InChIKeyKDJHHXNROPYBAP-UHFFFAOYSA-N
XLogP-0.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(triazol-1-yl)acetyl]pentanehydrazide?
The IUPAC name of N'-[2-(triazol-1-yl)acetyl]pentanehydrazide (CID 91287848) is N'-[2-(triazol-1-yl)acetyl]pentanehydrazide.
What is the SMILES notation for N'-[2-(triazol-1-yl)acetyl]pentanehydrazide?
The canonical SMILES for N'-[2-(triazol-1-yl)acetyl]pentanehydrazide is CCCCC(=O)NNC(=O)Cn1ccnn1.
What is the InChIKey of N'-[2-(triazol-1-yl)acetyl]pentanehydrazide?
The InChIKey is KDJHHXNROPYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-3-4-8(15)11-12-9(16)7-14-6-5-10-13-14/h5-6H,2-4,7H2,1H3,(H,11,15)(H,12,16).
What are the key properties of N'-[2-(triazol-1-yl)acetyl]pentanehydrazide?
N'-[2-(triazol-1-yl)acetyl]pentanehydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(triazol-1-yl)acetyl]pentanehydrazide is sourced from PubChem (CID 91287848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).