1-methyltriazole-4-carbohydrazide

C4H7N5O — CID 122163875

IUPAC1-methyltriazole-4-carbohydrazide
SMILESCn1cc(C(=O)NN)nn1
InChIInChI=1S/C4H7N5O/c1-9-2-3(7-8-9)4(10)6-5/h2H,5H2,1H3,(H,6,10)
InChIKeyKVIKYRCRVVRSPI-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.58
Rot. Bonds1

About 1-methyltriazole-4-carbohydrazide

1-methyltriazole-4-carbohydrazide (PubChem CID 122163875) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-methyltriazole-4-carbohydrazide.

Molecular Properties

Compound Name1-methyltriazole-4-carbohydrazide
PubChem CID122163875
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name1-methyltriazole-4-carbohydrazide
SMILESCn1cc(C(=O)NN)nn1
InChIInChI=1S/C4H7N5O/c1-9-2-3(7-8-9)4(10)6-5/h2H,5H2,1H3,(H,6,10)
InChIKeyKVIKYRCRVVRSPI-UHFFFAOYSA-N
XLogP-1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.58
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 1-methyltriazole-4-carbohydrazide?
The IUPAC name of 1-methyltriazole-4-carbohydrazide (CID 122163875) is 1-methyltriazole-4-carbohydrazide.
What is the SMILES notation for 1-methyltriazole-4-carbohydrazide?
The canonical SMILES for 1-methyltriazole-4-carbohydrazide is Cn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-methyltriazole-4-carbohydrazide?
The InChIKey is KVIKYRCRVVRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-9-2-3(7-8-9)4(10)6-5/h2H,5H2,1H3,(H,6,10).
What are the key properties of 1-methyltriazole-4-carbohydrazide?
1-methyltriazole-4-carbohydrazide has a molecular weight of 141.13 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltriazole-4-carbohydrazide is sourced from PubChem (CID 122163875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).