[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

C12H13BrN4O — CID 106889323

IUPAC[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(-c2occc2Br)nc2c1CCCC2
InChIInChI=1S/C12H13BrN4O/c13-8-5-6-18-10(8)12-15-9-4-2-1-3-7(9)11(16-12)17-14/h5-6H,1-4,14H2,(H,15,16,17)
InChIKeyHCZMCQNNRCVXGA-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.66
Rot. Bonds2

About [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (PubChem CID 106889323) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
PubChem CID106889323
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(-c2occc2Br)nc2c1CCCC2
InChIInChI=1S/C12H13BrN4O/c13-8-5-6-18-10(8)12-15-9-4-2-1-3-7(9)11(16-12)17-14/h5-6H,1-4,14H2,(H,15,16,17)
InChIKeyHCZMCQNNRCVXGA-UHFFFAOYSA-N
XLogP2.66
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.66
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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Related Compounds

[2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104790753
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 82801875
[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114077274
[2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 115568369
2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106889312
2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136965533
[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 107281498
[2-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62252758
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
[2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62250929
[2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62251116
[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114938453

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The IUPAC name of [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (CID 106889323) is [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The canonical SMILES for [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is NNc1nc(-c2occc2Br)nc2c1CCCC2.
What is the InChIKey of [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The InChIKey is HCZMCQNNRCVXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-8-5-6-18-10(8)12-15-9-4-2-1-3-7(9)11(16-12)17-14/h5-6H,1-4,14H2,(H,15,16,17).
What are the key properties of [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine has a molecular weight of 309.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is sourced from PubChem (CID 106889323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).