1-chloro-2-pyrimidin-4-ylhydrazine

C4H5ClN4 — CID 174607543

IUPAC1-chloro-2-pyrimidin-4-ylhydrazine
SMILESClNNc1ccncn1
InChIInChI=1S/C4H5ClN4/c5-9-8-4-1-2-6-3-7-4/h1-3,9H,(H,6,7,8)
InChIKeyMFYABMOUUBUACI-UHFFFAOYSA-N
MW144.57 g/mol
LogP0.55
Rot. Bonds2

About 1-chloro-2-pyrimidin-4-ylhydrazine

1-chloro-2-pyrimidin-4-ylhydrazine (PubChem CID 174607543) has the molecular formula C4H5ClN4 and a molecular weight of 144.57 g/mol. Its IUPAC name is 1-chloro-2-pyrimidin-4-ylhydrazine.

Molecular Properties

Compound Name1-chloro-2-pyrimidin-4-ylhydrazine
PubChem CID174607543
Molecular FormulaC4H5ClN4
Molecular Weight144.57 g/mol
Exact Mass144.02
IUPAC Name1-chloro-2-pyrimidin-4-ylhydrazine
SMILESClNNc1ccncn1
InChIInChI=1S/C4H5ClN4/c5-9-8-4-1-2-6-3-7-4/h1-3,9H,(H,6,7,8)
InChIKeyMFYABMOUUBUACI-UHFFFAOYSA-N
XLogP0.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.57
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-chloro-2-pyrimidin-4-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-pyrimidin-4-ylhydrazine?
The IUPAC name of 1-chloro-2-pyrimidin-4-ylhydrazine (CID 174607543) is 1-chloro-2-pyrimidin-4-ylhydrazine.
What is the SMILES notation for 1-chloro-2-pyrimidin-4-ylhydrazine?
The canonical SMILES for 1-chloro-2-pyrimidin-4-ylhydrazine is ClNNc1ccncn1.
What is the InChIKey of 1-chloro-2-pyrimidin-4-ylhydrazine?
The InChIKey is MFYABMOUUBUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4/c5-9-8-4-1-2-6-3-7-4/h1-3,9H,(H,6,7,8).
What are the key properties of 1-chloro-2-pyrimidin-4-ylhydrazine?
1-chloro-2-pyrimidin-4-ylhydrazine has a molecular weight of 144.57 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-pyrimidin-4-ylhydrazine is sourced from PubChem (CID 174607543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).