(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide

C6H11N5O — CID 35399839

IUPAC(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
SMILESC[C@H](CC(=O)NN)n1cncn1
InChIInChI=1S/C6H11N5O/c1-5(2-6(12)10-7)11-4-8-3-9-11/h3-5H,2,7H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyFPYLDCZNWOPYJP-RXMQYKEDSA-N
MW169.19 g/mol
LogP-0.78
Rot. Bonds3

About (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide

(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide (PubChem CID 35399839) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
PubChem CID35399839
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
SMILESC[C@H](CC(=O)NN)n1cncn1
InChIInChI=1S/C6H11N5O/c1-5(2-6(12)10-7)11-4-8-3-9-11/h3-5H,2,7H2,1H3,(H,10,12)/t5-/m1/s1
InChIKeyFPYLDCZNWOPYJP-RXMQYKEDSA-N
XLogP-0.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide?
The IUPAC name of (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide (CID 35399839) is (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide.
What is the SMILES notation for (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide?
The canonical SMILES for (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide is C[C@H](CC(=O)NN)n1cncn1.
What is the InChIKey of (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide?
The InChIKey is FPYLDCZNWOPYJP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N5O/c1-5(2-6(12)10-7)11-4-8-3-9-11/h3-5H,2,7H2,1H3,(H,10,12)/t5-/m1/s1.
What are the key properties of (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide?
(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide has a molecular weight of 169.19 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,2,4-triazol-1-yl)butanehydrazide is sourced from PubChem (CID 35399839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).