[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine

C9H12N6 — CID 80902349

IUPAC[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCc1nccn1-c1ccnc(NN)n1
InChIInChI=1S/C9H12N6/c1-2-7-11-5-6-15(7)8-3-4-12-9(13-8)14-10/h3-6H,2,10H2,1H3,(H,12,13,14)
InChIKeyAKTYUAXHSYNLGA-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.51
Rot. Bonds3

About [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine

[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80902349) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80902349
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCc1nccn1-c1ccnc(NN)n1
InChIInChI=1S/C9H12N6/c1-2-7-11-5-6-15(7)8-3-4-12-9(13-8)14-10/h3-6H,2,10H2,1H3,(H,12,13,14)
InChIKeyAKTYUAXHSYNLGA-UHFFFAOYSA-N
XLogP0.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine (CID 80902349) is [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine is CCc1nccn1-c1ccnc(NN)n1.
What is the InChIKey of [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is AKTYUAXHSYNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-2-7-11-5-6-15(7)8-3-4-12-9(13-8)14-10/h3-6H,2,10H2,1H3,(H,12,13,14).
What are the key properties of [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine?
[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 204.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80902349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).