5-methylpyrimidine-2-carbohydrazide

C6H8N4O — CID 45084344

IUPAC5-methylpyrimidine-2-carbohydrazide
SMILESCc1cnc(C(=O)NN)nc1
InChIInChI=1S/C6H8N4O/c1-4-2-8-5(9-3-4)6(11)10-7/h2-3H,7H2,1H3,(H,10,11)
InChIKeyZSKLNFYZKVFEJE-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.61
Rot. Bonds1

About 5-methylpyrimidine-2-carbohydrazide

5-methylpyrimidine-2-carbohydrazide (PubChem CID 45084344) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-methylpyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name5-methylpyrimidine-2-carbohydrazide
PubChem CID45084344
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5-methylpyrimidine-2-carbohydrazide
SMILESCc1cnc(C(=O)NN)nc1
InChIInChI=1S/C6H8N4O/c1-4-2-8-5(9-3-4)6(11)10-7/h2-3H,7H2,1H3,(H,10,11)
InChIKeyZSKLNFYZKVFEJE-UHFFFAOYSA-N
XLogP-0.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
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 5-methylpyrimidine-2-carbohydrazide?
The IUPAC name of 5-methylpyrimidine-2-carbohydrazide (CID 45084344) is 5-methylpyrimidine-2-carbohydrazide.
What is the SMILES notation for 5-methylpyrimidine-2-carbohydrazide?
The canonical SMILES for 5-methylpyrimidine-2-carbohydrazide is Cc1cnc(C(=O)NN)nc1.
What is the InChIKey of 5-methylpyrimidine-2-carbohydrazide?
The InChIKey is ZSKLNFYZKVFEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-4-2-8-5(9-3-4)6(11)10-7/h2-3H,7H2,1H3,(H,10,11).
What are the key properties of 5-methylpyrimidine-2-carbohydrazide?
5-methylpyrimidine-2-carbohydrazide has a molecular weight of 152.16 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrimidine-2-carbohydrazide is sourced from PubChem (CID 45084344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).