[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine

C13H14N6 — CID 80900540

IUPAC[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine
SMILESCc1ncn(-c2nc(NN)nc3ccccc23)c1C
InChIInChI=1S/C13H14N6/c1-8-9(2)19(7-15-8)12-10-5-3-4-6-11(10)16-13(17-12)18-14/h3-7H,14H2,1-2H3,(H,16,17,18)
InChIKeyKATALFOLRIRHQV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.72
Rot. Bonds2

About [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine

[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine (PubChem CID 80900540) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine
PubChem CID80900540
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine
SMILESCc1ncn(-c2nc(NN)nc3ccccc23)c1C
InChIInChI=1S/C13H14N6/c1-8-9(2)19(7-15-8)12-10-5-3-4-6-11(10)16-13(17-12)18-14/h3-7H,14H2,1-2H3,(H,16,17,18)
InChIKeyKATALFOLRIRHQV-UHFFFAOYSA-N
XLogP1.72
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.72
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-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine?
The IUPAC name of [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine (CID 80900540) is [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine is Cc1ncn(-c2nc(NN)nc3ccccc23)c1C.
What is the InChIKey of [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine?
The InChIKey is KATALFOLRIRHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-9(2)19(7-15-8)12-10-5-3-4-6-11(10)16-13(17-12)18-14/h3-7H,14H2,1-2H3,(H,16,17,18).
What are the key properties of [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine?
[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine has a molecular weight of 254.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 80900540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).