2-hydrazinylpyrimidine-5-carbonitrile

C5H5N5 — CID 1478409

IUPAC2-hydrazinylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NN)nc1
InChIInChI=1S/C5H5N5/c6-1-4-2-8-5(10-7)9-3-4/h2-3H,7H2,(H,8,9,10)
InChIKeyZMPBWIQKNOTOTR-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.37
Rot. Bonds1

About 2-hydrazinylpyrimidine-5-carbonitrile

2-hydrazinylpyrimidine-5-carbonitrile (PubChem CID 1478409) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-hydrazinylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-hydrazinylpyrimidine-5-carbonitrile
PubChem CID1478409
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name2-hydrazinylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NN)nc1
InChIInChI=1S/C5H5N5/c6-1-4-2-8-5(10-7)9-3-4/h2-3H,7H2,(H,8,9,10)
InChIKeyZMPBWIQKNOTOTR-UHFFFAOYSA-N
XLogP-0.37
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-hydrazinylpyrimidine-5-carbonitrile?
The IUPAC name of 2-hydrazinylpyrimidine-5-carbonitrile (CID 1478409) is 2-hydrazinylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-hydrazinylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-hydrazinylpyrimidine-5-carbonitrile is N#Cc1cnc(NN)nc1.
What is the InChIKey of 2-hydrazinylpyrimidine-5-carbonitrile?
The InChIKey is ZMPBWIQKNOTOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-1-4-2-8-5(10-7)9-3-4/h2-3H,7H2,(H,8,9,10).
What are the key properties of 2-hydrazinylpyrimidine-5-carbonitrile?
2-hydrazinylpyrimidine-5-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1478409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).