1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide

C4H7N5O2 — CID 148529716

IUPAC1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide
SMILESCn1nc(C(=O)NN)[nH]c1=O
InChIInChI=1S/C4H7N5O2/c1-9-4(11)6-2(8-9)3(10)7-5/h5H2,1H3,(H,7,10)(H,6,8,11)
InChIKeyMQASXNOXOXDLIZ-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.29
Rot. Bonds1

About 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide

1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide (PubChem CID 148529716) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide
PubChem CID148529716
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide
SMILESCn1nc(C(=O)NN)[nH]c1=O
InChIInChI=1S/C4H7N5O2/c1-9-4(11)6-2(8-9)3(10)7-5/h5H2,1H3,(H,7,10)(H,6,8,11)
InChIKeyMQASXNOXOXDLIZ-UHFFFAOYSA-N
XLogP-2.29
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
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 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide (CID 148529716) is 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide is Cn1nc(C(=O)NN)[nH]c1=O.
What is the InChIKey of 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide?
The InChIKey is MQASXNOXOXDLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-9-4(11)6-2(8-9)3(10)7-5/h5H2,1H3,(H,7,10)(H,6,8,11).
What are the key properties of 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide?
1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide has a molecular weight of 157.13 g/mol, XLogP of -2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 148529716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).