2H-triazole-4-carbohydrazide

C3H5N5O — CID 50989778

IUPAC2H-triazole-4-carbohydrazide
SMILESNNC(=O)c1cn[nH]n1
InChIInChI=1S/C3H5N5O/c4-6-3(9)2-1-5-8-7-2/h1H,4H2,(H,6,9)(H,5,7,8)
InChIKeyWYLQYIZMHUZWCH-UHFFFAOYSA-N
MW127.11 g/mol
LogP-1.59
Rot. Bonds1

About 2H-triazole-4-carbohydrazide

2H-triazole-4-carbohydrazide (PubChem CID 50989778) has the molecular formula C3H5N5O and a molecular weight of 127.11 g/mol. Its IUPAC name is 2H-triazole-4-carbohydrazide.

Molecular Properties

Compound Name2H-triazole-4-carbohydrazide
PubChem CID50989778
Molecular FormulaC3H5N5O
Molecular Weight127.11 g/mol
Exact Mass127.05
IUPAC Name2H-triazole-4-carbohydrazide
SMILESNNC(=O)c1cn[nH]n1
InChIInChI=1S/C3H5N5O/c4-6-3(9)2-1-5-8-7-2/h1H,4H2,(H,6,9)(H,5,7,8)
InChIKeyWYLQYIZMHUZWCH-UHFFFAOYSA-N
XLogP-1.59
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2H-triazole-4-carbohydrazide?
The IUPAC name of 2H-triazole-4-carbohydrazide (CID 50989778) is 2H-triazole-4-carbohydrazide.
What is the SMILES notation for 2H-triazole-4-carbohydrazide?
The canonical SMILES for 2H-triazole-4-carbohydrazide is NNC(=O)c1cn[nH]n1.
What is the InChIKey of 2H-triazole-4-carbohydrazide?
The InChIKey is WYLQYIZMHUZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O/c4-6-3(9)2-1-5-8-7-2/h1H,4H2,(H,6,9)(H,5,7,8).
What are the key properties of 2H-triazole-4-carbohydrazide?
2H-triazole-4-carbohydrazide has a molecular weight of 127.11 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole-4-carbohydrazide is sourced from PubChem (CID 50989778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).