pyrimidine-2-carbohydrazide

C5H6N4O — CID 11182639

IUPACpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncccn1
InChIInChI=1S/C5H6N4O/c6-9-5(10)4-7-2-1-3-8-4/h1-3H,6H2,(H,9,10)
InChIKeyDQEIYNHQKWEZKR-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.92
Rot. Bonds1

About pyrimidine-2-carbohydrazide

pyrimidine-2-carbohydrazide (PubChem CID 11182639) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Namepyrimidine-2-carbohydrazide
PubChem CID11182639
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Namepyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncccn1
InChIInChI=1S/C5H6N4O/c6-9-5(10)4-7-2-1-3-8-4/h1-3H,6H2,(H,9,10)
InChIKeyDQEIYNHQKWEZKR-UHFFFAOYSA-N
XLogP-0.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.92
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 pyrimidine-2-carbohydrazide?
The IUPAC name of pyrimidine-2-carbohydrazide (CID 11182639) is pyrimidine-2-carbohydrazide.
What is the SMILES notation for pyrimidine-2-carbohydrazide?
The canonical SMILES for pyrimidine-2-carbohydrazide is NNC(=O)c1ncccn1.
What is the InChIKey of pyrimidine-2-carbohydrazide?
The InChIKey is DQEIYNHQKWEZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-9-5(10)4-7-2-1-3-8-4/h1-3H,6H2,(H,9,10).
What are the key properties of pyrimidine-2-carbohydrazide?
pyrimidine-2-carbohydrazide has a molecular weight of 138.13 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2-carbohydrazide is sourced from PubChem (CID 11182639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).