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

C6H11N5O — CID 63572043

IUPAC4-(1,2,4-triazol-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cncn1
InChIInChI=1S/C6H11N5O/c7-10-6(12)2-1-3-11-5-8-4-9-11/h4-5H,1-3,7H2,(H,10,12)
InChIKeySFDJRKWPNUOUBU-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.95
Rot. Bonds4

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

4-(1,2,4-triazol-1-yl)butanehydrazide (PubChem CID 63572043) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)butanehydrazide
PubChem CID63572043
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name4-(1,2,4-triazol-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cncn1
InChIInChI=1S/C6H11N5O/c7-10-6(12)2-1-3-11-5-8-4-9-11/h4-5H,1-3,7H2,(H,10,12)
InChIKeySFDJRKWPNUOUBU-UHFFFAOYSA-N
XLogP-0.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.95
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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Related Compounds

N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
(2S)-4-methyl-2-[4-(1,2,4-triazol-1-yl)butanoylamino]pentanamide
CID 131948202
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
ethyl 2-oxo-5-(1,2,4-triazol-1-yl)pentanoate
CID 140993818
N-(2-tert-butylsulfinylethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 167843334
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
4-(4-methylpyrazol-1-yl)butanehydrazide
CID 63578152
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)butanehydrazide?
The IUPAC name of 4-(1,2,4-triazol-1-yl)butanehydrazide (CID 63572043) is 4-(1,2,4-triazol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)butanehydrazide?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)butanehydrazide is NNC(=O)CCCn1cncn1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)butanehydrazide?
The InChIKey is SFDJRKWPNUOUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-10-6(12)2-1-3-11-5-8-4-9-11/h4-5H,1-3,7H2,(H,10,12).
What are the key properties of 4-(1,2,4-triazol-1-yl)butanehydrazide?
4-(1,2,4-triazol-1-yl)butanehydrazide has a molecular weight of 169.19 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)butanehydrazide is sourced from PubChem (CID 63572043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).